[4-[ethanoyl-(phenylmethyl)amino]-4-oxidanylidene-1-phenylsulfanyl-butyl] ethanoate

Systemtic Name: [4-[ethanoyl-(phenylmethyl)amino]-4-oxidanylidene-1-phenylsulfanyl-butyl] ethanoate Openeye Name: [4-[acetyl(benzyl)amino]-4-oxo-1-phenylsulfanyl-butyl] acetate CAS Name: acetic acid [4-[acetyl-(phenylmethyl)amino]-4-oxo-1-(phenylthio)butyl] ester IUPAC Name: [4-[acetyl(benzyl)amino]-4-oxo-1-phenylsulfanylbutyl] acetate Traditional Name: acetic acid [4-[acetyl(benzyl)amino]-4-keto-1-(phenylthio)butyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=CC=C1)C(=O)CCC(OC(=O)C)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)N(CC1=CC=CC=C1)C(=O)CCC(OC(=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-16(23)22(15-18-9-5-3-6-10-18)20(25)13-14-21(26-17(2)24)27-19-11-7-4-8-12-19/h3-12,21H,13-15H2,1-2H3