(2-oxidanylidene-2-thiophen-2-yl-ethyl) (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO3S/c1-12-4-6-13(7-5-12)9-14(10-18)17(20)21-11-15(19)16-3-2-8-22-16/h2-9H,11H2,1H3/b14-9+