6,7-dimethoxy-3-thiophen-3-yl-2H-isoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-3-thiophen-3-yl-2H-isoquinolin-1-one Openeye Name: 6,7-dimethoxy-3-(3-thienyl)-2H-isoquinolin-1-one CAS Name: 6,7-dimethoxy-3-(3-thiophenyl)-2H-isoquinolin-1-one IUPAC Name: 6,7-dimethoxy-3-thiophen-3-yl-2H-isoquinolin-1-one Traditional Name: 6,7-dimethoxy-3-(3-thienyl)isocarbostyril Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(NC2=O)C3=CSC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(NC2=O)C3=CSC=C3)OC

InChI

InChI=1S/C15H13NO3S/c1-18-13-6-10-5-12(9-3-4-20-8-9)16-15(17)11(10)7-14(13)19-2/h3-8H,1-2H3,(H,16,17)