(4-oxidanylidene-4-phenylazanyl-3-phenylsulfanyl-butan-2-yl) ethanoate

Systemtic Name: (4-oxidanylidene-4-phenylazanyl-3-phenylsulfanyl-butan-2-yl) ethanoate Openeye Name: (3-anilino-1-methyl-3-oxo-2-phenylsulfanyl-propyl) acetate CAS Name: acetic acid [4-anilino-4-oxo-3-(phenylthio)butan-2-yl] ester IUPAC Name: (4-anilino-4-oxo-3-phenylsulfanylbutan-2-yl) acetate Traditional Name: acetic acid [3-anilino-3-keto-1-methyl-2-(phenylthio)propyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC1=CC=CC=C1)SC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(C(C(=O)NC1=CC=CC=C1)SC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C18H19NO3S/c1-13(22-14(2)20)17(23-16-11-7-4-8-12-16)18(21)19-15-9-5-3-6-10-15/h3-13,17H,1-2H3,(H,19,21)