1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[(4Z)-4-pyrrolidin-1-ylimino-6,7-dihydro-5H-1-benzothiophen-2-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[(4Z)-4-pyrrolidin-1-ylimino-6,7-dihydro-5H-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[(4Z)-4-pyrrolidin-1-ylimino-6,7-dihydro-5H-benzothiophen-2-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[(4Z)-4-(1-pyrrolidinylimino)-6,7-dihydro-5H-1-benzothiophen-2-yl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[(4Z)-4-pyrrolidin-1-ylimino-6,7-dihydro-5H-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[(4Z)-4-pyrrolidinoimino-6,7-dihydro-5H-benzothiophen-2-yl]quinoline-3-carboxylic acid Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5=NN6CCCC6

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC\5=C(S4)CCC/C5=N/N6CCCC6

InChI

InChI=1S/C26H27N3O4S/c1-33-25-16(9-10-17-23(25)29(15-7-8-15)14-19(24(17)30)26(31)32)22-13-18-20(5-4-6-21(18)34-22)27-28-11-2-3-12-28/h9-10,13-15H,2-8,11-12H2,1H3,(H,31,32)/b27-20-