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

Systemtic Name: 2-[(1S)-2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylethanoate Openeye Name: 2-[(1S)-2-(3,4-dimethylanilino)-2-oxo-1-phenyl-ethyl]sulfanylacetate CAS Name: 2-[[(1S)-2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]thio]acetate IUPAC Name: 2-[(1S)-2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylacetate Traditional Name: 2-[[(1S)-2-(3,4-dimethylanilino)-2-keto-1-phenyl-ethyl]thio]acetate Formula: C18H18NO3S- MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SCC(=O)[O-])C

Isomeric SMILES

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

InChI

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