6,7-dimethoxy-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 6,7-dimethoxy-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 1-keto-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=CS3

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C17H17NO5S/c1-18-15(13-5-4-6-24-13)14(17(20)21)9-7-11(22-2)12(23-3)8-10(9)16(18)19/h4-8,14-15H,1-3H3,(H,20,21)