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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-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)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C(=CC1=CC=CS1)C2=CC=CS2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)/C(=C/C1=CC=CS1)/C2=CC=CS2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H22N2O3S2/c1-23(21(15-22)9-3-2-4-10-21)19(24)14-26-20(25)17(18-8-6-12-28-18)13-16-7-5-11-27-16/h5-8,11-13H,2-4,9-10,14H2,1H3/b17-13+