(E)-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C26H26N2O5S/c1-31-21-13-17(14-22(32-2)25(21)33-3)6-9-24(29)27-20-8-7-18-10-11-28(16-19(18)15-20)26(30)23-5-4-12-34-23/h4-9,12-15H,10-11,16H2,1-3H3,(H,27,29)/b9-6+