2-methyl-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-methyl-1-oxidanylidene-4-thiophen-2-yl-isoquinoline-3-carboxylic acid Openeye Name: 2-methyl-1-oxo-4-(2-thienyl)isoquinoline-3-carboxylic acid CAS Name: 2-methyl-1-oxo-4-thiophen-2-yl-3-isoquinolinecarboxylic acid IUPAC Name: 2-methyl-1-oxo-4-thiophen-2-ylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-methyl-4-(2-thienyl)isoquinoline-3-carboxylic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO3S/c1-16-13(15(18)19)12(11-7-4-8-20-11)9-5-2-3-6-10(9)14(16)17/h2-8H,1H3,(H,18,19)