ethyl 2-[[4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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Basic information

CAS: 352700-52-8
Standard SMILES: CCOC(=O)c1c(NC(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCCC4)cc2)sc2c1CCCCC2
InChIKey: ZSVZANCQHFRKLH-UHFFFAOYSA-N
Molecular formula: C32H36N2O6S2
Average molar mass: 608.8 g/mol

Names & identifiers

Preferred name: ethyl 2-[[4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
IUPAC: ethyl 2-[[4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
English name: ethyl 2-{[4-({[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)benzoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Molecular formula: C32H36N2O6S2
Molecular weight: 608.76804

Names & synonyms

diethyl 2,2'-[benzene-1,4-diylbis(carbonylimino)]bis(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate)STK418085AKOS003325821ethyl 2-[[4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateAK-968/12383134ethyl 2-{[4-({[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)benzoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateETHYL 2-{[4-({[3-(ETHOXYCARBONYL)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL]AMINO}CARBONYL)BENZOYL]AMINO}-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE

Database identifiers

CAS: 352700-52-8

Properties

Computed structural properties

XLogP: 8.7
Topological polar surface area: 167 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 42
Formal charge: 0
Complexity: 897

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