1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-[[4-methyl-3,5-bis(propan-2-yloxycarbonyl)thiophen-2-yl]carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-[[4-methyl-3,5-bis(propan-2-yloxycarbonyl)thiophen-2-yl]carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[[3,5-bis(isopropoxycarbonyl)-4-methyl-2-thienyl]carbamothioyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[[[4-methyl-3,5-bis[oxo(propan-2-yloxy)methyl]-2-thiophenyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[[4-methyl-3,5-bis(propan-2-yloxycarbonyl)thiophen-2-yl]carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[[3,5-bis(isopropoxycarbonyl)-4-methyl-2-thienyl]thiocarbamoyl]-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C33H39FN4O8S2 MolecularWeight: 702.813163

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OC(C)C)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1C(=S)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OC(C)C)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C33H39FN4O8S2/c1-15(2)45-31(42)23-18(6)28(32(43)46-16(3)4)48-29(23)35-33(47)37-11-10-36(13-17(37)5)25-22(34)12-20-24(27(25)44-7)38(19-8-9-19)14-21(26(20)39)30(40)41/h12,14-17,19H,8-11,13H2,1-7H3,(H,35,47)(H,40,41)