[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H23NO3S/c1-15(8-9-16-6-4-3-5-7-16)21-19(22)14-24-20(23)17-10-12-18(25-2)13-11-17/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,21,22)/t15-/m1/s1