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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acrylamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)OC

InChI

InChI=1S/C25H24N2O4S/c1-30-21-9-5-17(14-22(21)31-2)6-10-24(28)26-20-8-7-18-11-12-27(16-19(18)15-20)25(29)23-4-3-13-32-23/h3-10,13-15H,11-12,16H2,1-2H3,(H,26,28)/b10-6+