2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-6-thiophen-3-yl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-6-thiophen-3-yl-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-6-(3-thienyl)isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-6-(3-thiophenyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-6-thiophen-3-ylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-4-phenyl-2-piperonyl-6-(3-thienyl)isoquinoline-3-carboxylic acid Formula: C28H19NO5S MolecularWeight: 481.51916

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)C5=CSC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)C5=CSC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C28H19NO5S/c30-27-21-8-7-19(20-10-11-35-15-20)13-22(21)25(18-4-2-1-3-5-18)26(28(31)32)29(27)14-17-6-9-23-24(12-17)34-16-33-23/h1-13,15H,14,16H2,(H,31,32)