[3-[bis(phenylmethyl)amino]-1-methylsulfanyl-2-oxidanylidene-4-phenyl-butyl] ethanoate

Systemtic Name: [3-[bis(phenylmethyl)amino]-1-methylsulfanyl-2-oxidanylidene-4-phenyl-butyl] ethanoate Openeye Name: [3-(dibenzylamino)-1-methylsulfanyl-2-oxo-4-phenyl-butyl] acetate CAS Name: acetic acid [3-[bis(phenylmethyl)amino]-1-(methylthio)-2-oxo-4-phenylbutyl] ester IUPAC Name: [3-(dibenzylamino)-1-methylsulfanyl-2-oxo-4-phenylbutyl] acetate Traditional Name: acetic acid [3-(dibenzylamino)-2-keto-1-(methylthio)-4-phenyl-butyl] ester Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(=O)C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)SC

Isomeric SMILES

CC(=O)OC(C(=O)C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)SC

InChI

InChI=1S/C27H29NO3S/c1-21(29)31-27(32-2)26(30)25(18-22-12-6-3-7-13-22)28(19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17,25,27H,18-20H2,1-2H3