ethyl 3-methyl-5-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSCC2=CC=CC=C2)C

InChI

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