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

Systemtic Name: 1-cyclopropyl-7-[4-(furan-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(furan-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[[3-furanyl(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-(furan-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(3-furoylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C27H24N2O6S MolecularWeight: 504.55426

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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=COC=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O6S/c1-34-25-16(7-8-17-23(25)29(15-5-6-15)12-19(24(17)30)27(32)33)22-11-18-20(3-2-4-21(18)36-22)28-26(31)14-9-10-35-13-14/h7-13,15,20H,2-6H2,1H3,(H,28,31)(H,32,33)