[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)OCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)OCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C18H14N2O3S/c19-12-14-6-4-5-9-16(14)20-17(21)13-23-18(22)10-11-24-15-7-2-1-3-8-15/h1-11H,13H2,(H,20,21)/b11-10+