[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C17H14N2O3S/c1-12-4-2-3-5-13(12)6-7-16(21)22-11-15(20)19-17-14(10-18)8-9-23-17/h2-9H,11H2,1H3,(H,19,20)/b7-6+