[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(m-tolyl)-2-(2-thienyl)acrylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C2=CC=CS2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C2=CC=CS2)/C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H23NO3S/c1-18-6-4-7-19(14-18)15-22(23-10-5-13-30-23)25(28)29-17-24(27)26-12-11-20-8-2-3-9-21(20)16-26/h2-10,13-15H,11-12,16-17H2,1H3/b22-15+