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

Systemtic Name: [(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [(1S)-2-amino-2-oxo-1-phenyl-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1S)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-amino-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1S)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-12-8-9-13(2)15(10-12)23-11-16(20)22-17(18(19)21)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H2,19,21)/t17-/m0/s1