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

Systemtic Name: 1-cyclopropyl-7-[4-(1H-imidazol-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(1H-imidazole-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[[1H-imidazol-2-yl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(1H-imidazole-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(1H-imidazole-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C26H24N4O5S MolecularWeight: 504.55756

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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)CCCC5NC(=O)C6=NC=CN6

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5NC(=O)C6=NC=CN6

InChI

InChI=1S/C26H24N4O5S/c1-35-23-14(7-8-15-21(23)30(13-5-6-13)12-17(22(15)31)26(33)34)20-11-16-18(3-2-4-19(16)36-20)29-25(32)24-27-9-10-28-24/h7-13,18H,2-6H2,1H3,(H,27,28)(H,29,32)(H,33,34)