ethyl 5-ethanoyl-4-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(2-benzylsulfanylacetyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(2-benzylsulfanylacetyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(benzylthio)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S2/c1-4-24-19(23)16-12(2)17(13(3)21)26-18(16)20-15(22)11-25-10-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,22)