[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC=CC=C2C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC=CC=C2C

InChI

InChI=1S/C21H25NO3S/c1-3-9-18(17-11-5-4-6-12-17)22-20(23)14-25-21(24)15-26-19-13-8-7-10-16(19)2/h4-8,10-13,18H,3,9,14-15H2,1-2H3,(H,22,23)/t18-/m1/s1