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

Systemtic Name: methyl 2-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(4-benzylsulfanylbutanoylamino)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylsulfanylbutanoylamino)thiophene-3-carboxylate Traditional Name: 2-[4-(benzylthio)butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CCCSCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO3S2/c1-21-17(20)14-9-11-23-16(14)18-15(19)8-5-10-22-12-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10,12H2,1H3,(H,18,19)