methyl 4,5-dimethyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C17H19NO3S2/c1-11-12(2)23-16(15(11)17(20)21-3)18-14(19)10-22-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,18,19)