1-cyclopropyl-7-(4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-(4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinoline-3-carboxylic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1)SC(=C2)C3=CC4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O

Isomeric SMILES

CC1C2=C(CCN1)SC(=C2)C3=CC4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O

InChI

InChI=1S/C21H20N2O3S/c1-11-15-9-19(27-18(15)6-7-22-11)12-2-5-14-17(8-12)23(13-3-4-13)10-16(20(14)24)21(25)26/h2,5,8-11,13,22H,3-4,6-7H2,1H3,(H,25,26)