Ethyl 4,5,6,7-tetrahydro-6-methyl-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylate

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Basic information

CAS: 76981-75-4
Standard SMILES: CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCC(C)C2
InChIKey: SMVVWGMRLUECQX-UHFFFAOYSA-N
Molecular formula: C20H23NO3S
Average molar mass: 357.5 g/mol
Monoisotopic mass: 357.13986477

Names & identifiers

Preferred name: Ethyl 4,5,6,7-tetrahydro-6-methyl-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylate
IUPAC: ethyl 6-methyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Names & synonyms

76981-75-4Ethyl 4,5,6,7-tetrahydro-6-methyl-2-[(2-phenylacetyl)amino]benzo[b]thiophene-3-carboxylateEthyl 4,5,6,7-tetrahydro-6-methyl-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylateRefChem:1084886ethyl 6-methyl-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateBRN 5609012Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((phenylacetyl)amino)-, ethyl esterOprea1_274253Oprea1_414444DTXSID30998264STK373452AKOS000513953

Show more names

AKOS016451263ethyl 6-methyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50909947AG-690/12883323SR-01000410151SR-01000410151-1ethyl 6-methyl-2-(2-phenylacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-c arboxylateN-[3-(Ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl](phenyl)ethanimidic acid

Database identifiers

CAS: 76981-75-4
PubChem CID: 2854071
DTXSID: DTXSID30998264

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 478

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