1-cyclopropyl-7-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-3-methyl-piperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3-methyl-1-piperazinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C31H35FN4O6S2 MolecularWeight: 642.761203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCN(CC3C)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCN(CC3C)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C31H35FN4O6S2/c1-4-42-30(40)23-18-7-5-6-8-22(18)44-28(23)33-31(43)35-12-11-34(14-16(35)2)25-21(32)13-19-24(27(25)41-3)36(17-9-10-17)15-20(26(19)37)29(38)39/h13,15-17H,4-12,14H2,1-3H3,(H,33,43)(H,38,39)