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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S/c18-13-17(9-4-5-10-17)19-15(20)12-22-16(21)8-11-23-14-6-2-1-3-7-14/h1-3,6-8,11H,4-5,9-10,12H2,(H,19,20)/b11-8+