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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (Z)-3-(m-tolyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(m-tolyl)-2-(2-thienyl)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C2=CC=CS2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C2=CC=CS2)/C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C22H22N2O3S/c1-16-6-4-7-17(12-16)13-18(19-8-5-11-28-19)21(26)27-14-20(25)24-22(15-23)9-2-3-10-22/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,24,25)/b18-13+