ethyl 4-oxidanylidene-4-[(phenylmethyl)amino]-2-phenylsulfanyl-butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(phenylmethyl)amino]-2-phenylsulfanyl-butanoate Openeye Name: ethyl 4-(benzylamino)-4-oxo-2-phenylsulfanyl-butanoate CAS Name: 4-oxo-4-[(phenylmethyl)amino]-2-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-4-oxo-2-phenylsulfanylbutanoate Traditional Name: 4-(benzylamino)-4-keto-2-(phenylthio)butyric acid ethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)NCC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC(=O)NCC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-2-23-19(22)17(24-16-11-7-4-8-12-16)13-18(21)20-14-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,20,21)