1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[4-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[4-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-(4-propionamido-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-3-carboxylic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CCCC2=C1C=C(S2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC

Isomeric SMILES

CCC(=O)NC1CCCC2=C1C=C(S2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC

InChI

InChI=1S/C25H26N2O5S/c1-3-21(28)26-18-5-4-6-19-16(18)11-20(33-19)14-9-10-15-22(24(14)32-2)27(13-7-8-13)12-17(23(15)29)25(30)31/h9-13,18H,3-8H2,1-2H3,(H,26,28)(H,30,31)