Methyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-2-thiophenecarboxylate

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Basic information

CAS: 149587-73-5
Standard SMILES: COC(=O)c1scc(C)c1NC(=O)OC(C)(C)C
InChIKey: SOOLZKVSIZKFCS-UHFFFAOYSA-N
Molecular formula: C12H17NO4S
Average molar mass: 271.33 g/mol
Monoisotopic mass: 271.0878292

Names & identifiers

Preferred name: Methyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-2-thiophenecarboxylate
IUPAC: methyl 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate

Names & synonyms

SCHEMBL9097295DTXSID001138222Methyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-2-thiophenecarboxylate149587-73-5Methyl 3-[(tert-butoxycarbonyl)amino]-4-methylthiophene-2-carboxylate

Database identifiers

CAS: 149587-73-5
PubChem CID: 19100742
DTXSID: DTXSID001138222

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 92.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 327

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