methyl 3-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(benzylamino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(benzylamino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(benzylamino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-22-18(21)16-9-5-8-15(10-16)12-23-13-17(20)19-11-14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,19,20)