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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acrylamide Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H20N2O4S/c27-23(8-4-16-3-7-20-21(12-16)30-15-29-20)25-19-6-5-17-9-10-26(14-18(17)13-19)24(28)22-2-1-11-31-22/h1-8,11-13H,9-10,14-15H2,(H,25,27)/b8-4+