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

Systemtic Name: [4-oxidanylidene-4-[(phenylmethyl)amino]-1-phenylsulfanyl-butyl] ethanoate Openeye Name: [4-(benzylamino)-4-oxo-1-phenylsulfanyl-butyl] acetate CAS Name: acetic acid [4-oxo-4-[(phenylmethyl)amino]-1-(phenylthio)butyl] ester IUPAC Name: [4-(benzylamino)-4-oxo-1-phenylsulfanylbutyl] acetate Traditional Name: acetic acid [4-(benzylamino)-4-keto-1-(phenylthio)butyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC(=O)NCC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(CCC(=O)NCC1=CC=CC=C1)SC2=CC=CC=C2

InChI

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