[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (Z)-3-phenyl-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (Z)-3-phenyl-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (Z)-3-phenyl-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-phenyl-2-thiophen-2-yl-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (Z)-3-phenyl-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-phenyl-2-(2-thienyl)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C(=CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CS3

InChI

InChI=1S/C21H20N2O3S/c22-15-21(10-4-5-11-21)23-19(24)14-26-20(25)17(18-9-6-12-27-18)13-16-7-2-1-3-8-16/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,23,24)/b17-13+