[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-14-9-10-18(11-15(14)2)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-/m0/s1