1-cyclopropyl-7-[4-[[3-ethoxycarbonyl-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophen-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-methyl-5-[(2-methylphenyl)carbamoyl]thiophen-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-methyl-5-(o-tolylcarbamoyl)-2-thienyl]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-methyl-5-[(2-methylanilino)-oxomethyl]-2-thiophenyl]amino]-sulfanylidenemethyl]-3-methyl-1-piperazinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-[[3-ethoxycarbonyl-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophen-2-yl]carbamothioyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[[3-carbethoxy-4-methyl-5-(o-tolylcarbamoyl)-2-thienyl]thiocarbamoyl]-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C36H38FN5O7S2 MolecularWeight: 735.844623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)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(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=S)N3CCN(CC3C)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C36H38FN5O7S2/c1-6-49-35(47)26-20(4)31(32(44)38-25-10-8-7-9-18(25)2)51-33(26)39-36(50)41-14-13-40(16-19(41)3)28-24(37)15-22-27(30(28)48-5)42(21-11-12-21)17-23(29(22)43)34(45)46/h7-10,15,17,19,21H,6,11-14,16H2,1-5H3,(H,38,44)(H,39,50)(H,45,46)