[(2S)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1S)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1S)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@@H](C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-3-26-16-6-8-17(9-7-16)28-12-19(24)27-13(2)20(25)23-15-5-4-14(11-22)18(21)10-15/h4-10,13H,3,12H2,1-2H3,(H,23,25)/t13-/m0/s1