ethyl 2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO3S2/c1-2-20-16(19)13-8-9-22-15(13)17-14(18)11-21-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,18)