6-(1,3-benzothiazol-2-yl)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-(1,3-benzothiazol-2-yl)-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-(1,3-benzothiazol-2-yl)-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-(1,3-benzothiazol-2-yl)-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(1,3-benzothiazol-2-yl)-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C18H12N2O3S/c1-20-9-12(18(22)23)16(21)11-8-10(6-7-14(11)20)17-19-13-4-2-3-5-15(13)24-17/h2-9H,1H3,(H,22,23)