[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2R)-2-phenyl-2-(phenylthio)acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2R)-2-phenyl-2-(phenylthio)acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCC(=O)NC2=C(C=CS2)C#N)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)OCC(=O)NC2=C(C=CS2)C#N)SC3=CC=CC=C3

InChI

InChI=1S/C21H16N2O3S2/c22-13-16-11-12-27-20(16)23-18(24)14-26-21(25)19(15-7-3-1-4-8-15)28-17-9-5-2-6-10-17/h1-12,19H,14H2,(H,23,24)/t19-/m1/s1