[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-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=C(S2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c22-15-21(12-4-5-13-21)23-19(24)14-26-20(25)11-9-17-8-10-18(27-17)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,23,24)/b11-9+