[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-13(24-16-5-3-2-4-6-16)18(22)23-12-17(21)20-15-9-7-14(11-19)8-10-15/h2-10,13H,12H2,1H3,(H,20,21)/t13-/m1/s1