[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)SC2=CC=CC=C2

InChI

InChI=1S/C18H15ClN2O3S/c1-12(25-15-5-3-2-4-6-15)18(23)24-11-17(22)21-16-9-14(19)8-7-13(16)10-20/h2-9,12H,11H2,1H3,(H,21,22)/t12-/m1/s1