[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C20H23NO3S/c1-14-9-10-15(2)18(11-14)25-13-20(23)24-12-19(22)21-16(3)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,21,22)/t16-/m1/s1