1-cyclopropyl-8-methoxy-7-(6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-methoxy-7-(6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-methoxy-7-(6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-7-(6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-7-(6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-(6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinoline-3-carboxylic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(CN1)C=C(S2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC

Isomeric SMILES

CC1CC2=C(CN1)C=C(S2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC

InChI

InChI=1S/C22H22N2O4S/c1-11-7-17-12(9-23-11)8-18(29-17)14-5-6-15-19(21(14)28-2)24(13-3-4-13)10-16(20(15)25)22(26)27/h5-6,8,10-11,13,23H,3-4,7,9H2,1-2H3,(H,26,27)