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

Systemtic Name: methyl 3-[[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-oxo-2-(phenethylamino)ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-oxo-2-(phenethylamino)ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-oxo-2-(phenethylamino)ethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-(phenethylamino)ethyl]thio]methyl]benzoic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-23-19(22)17-9-5-8-16(12-17)13-24-14-18(21)20-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,20,21)