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

Systemtic Name: methyl 3-[[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(2-benzylanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-benzylanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(2-benzylanilino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C24H23NO3S/c1-28-24(27)21-12-7-10-19(15-21)16-29-17-23(26)25-22-13-6-5-11-20(22)14-18-8-3-2-4-9-18/h2-13,15H,14,16-17H2,1H3,(H,25,26)