1-cyclopropyl-7-(7,7-dimethyl-5,6-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(7,7-dimethyl-5,6-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(7,7-dimethyl-5,6-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(7,7-dimethyl-5,6-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(7,7-dimethyl-5,6-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(7,7-dimethyl-5,6-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-keto-quinoline-3-carboxylic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCC2=C1SC(=C2)C3=CC4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)C

Isomeric SMILES

CC1(CNCC2=C1SC(=C2)C3=CC4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)C

InChI

InChI=1S/C22H22N2O3S/c1-22(2)11-23-9-13-8-18(28-20(13)22)12-3-6-15-17(7-12)24(14-4-5-14)10-16(19(15)25)21(26)27/h3,6-8,10,14,23H,4-5,9,11H2,1-2H3,(H,26,27)