[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H23NO3S/c1-14-8-9-15(2)18(12-14)26-13-19(23)25-20(16-6-4-3-5-7-16)21(24)22-17-10-11-17/h3-9,12,17,20H,10-11,13H2,1-2H3,(H,22,24)/t20-/m0/s1