methyl 3-[4-[(4-chlorophenyl)carbonylamino]butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[(4-chlorophenyl)carbonylamino]butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-[(4-chlorobenzoyl)amino]butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(4-chlorobenzoyl)amino]butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-[(4-chlorobenzoyl)amino]butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O4S/c1-24-17(23)15-13(8-10-25-15)20-14(21)3-2-9-19-16(22)11-4-6-12(18)7-5-11/h4-8,10H,2-3,9H2,1H3,(H,19,22)(H,20,21)