[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-2-propenoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C(=CC2=CC=CS2)C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3

InChI

InChI=1S/C20H20N2O3S2/c21-14-20(8-2-1-3-9-20)22-18(23)13-25-19(24)16(17-7-5-11-27-17)12-15-6-4-10-26-15/h4-7,10-12H,1-3,8-9,13H2,(H,22,23)/b16-12+