7-(7-azanyl-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(7-azanyl-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7-amino-5,5-dimethyl-6,7-dihydro-4H-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7-amino-5,5-dimethyl-6,7-dihydro-4H-benzothiophen-2-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)C=C(S2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC)N)C

Isomeric SMILES

CC1(CC(C2=C(C1)C=C(S2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC)N)C

InChI

InChI=1S/C24H26N2O4S/c1-24(2)9-12-8-18(31-22(12)17(25)10-24)14-6-7-15-19(21(14)30-3)26(13-4-5-13)11-16(20(15)27)23(28)29/h6-8,11,13,17H,4-5,9-10,25H2,1-3H3,(H,28,29)