[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3S/c19-14-18(10-5-2-6-11-18)20-16(21)13-23-17(22)9-12-24-15-7-3-1-4-8-15/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,20,21)/b12-9+