[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)OCC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C18H18O3S/c1-12-6-4-5-7-15(12)8-9-18(20)21-11-17(19)16-10-13(2)22-14(16)3/h4-10H,11H2,1-3H3/b9-8+