methyl 4-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(2-anilino-2-oxo-ethyl)sulfanylmethyl]benzoate CAS Name: 4-[[(2-anilino-2-oxoethyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2-anilino-2-keto-ethyl)thio]methyl]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)CSCC(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2

InChI

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