methyl 4-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[(2-benzylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(benzylthio)acetyl]amino]benzoic acid methyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-21-17(20)14-7-9-15(10-8-14)18-16(19)12-22-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)