methyl 2-[2-(phenylmethylsulfanyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(phenylmethylsulfanyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzylsulfanylacetyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C19H17NO3S2 MolecularWeight: 371.47318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C19H17NO3S2/c1-23-19(22)17-14-9-5-6-10-15(14)25-18(17)20-16(21)12-24-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)