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

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[(5Z)-5-phenylmethoxyimino-6,7-dihydro-4H-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Openeye Name: 7-[(5Z)-5-benzyloxyimino-6,7-dihydro-4H-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[(5Z)-5-phenylmethoxyimino-6,7-dihydro-4H-1-benzothiophen-2-yl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[(5Z)-5-phenylmethoxyimino-6,7-dihydro-4H-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Traditional Name: 7-[(5Z)-5-benzyloximino-6,7-dihydro-4H-benzothiophen-2-yl]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C29H26N2O5S MolecularWeight: 514.59214

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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)CCC(=NOCC6=CC=CC=C6)C5

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CC/C(=N/OCC6=CC=CC=C6)/C5

InChI

InChI=1S/C29H26N2O5S/c1-35-28-21(10-11-22-26(28)31(20-8-9-20)15-23(27(22)32)29(33)34)25-14-18-13-19(7-12-24(18)37-25)30-36-16-17-5-3-2-4-6-17/h2-6,10-11,14-15,20H,7-9,12-13,16H2,1H3,(H,33,34)/b30-19-