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

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[4-(2-pyridin-2-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-[[2-(2-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-[(2-pyridin-2-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[4-[[2-(2-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid Formula: C29H27N3O5S MolecularWeight: 529.60678

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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)CC6=CC=CC=N6

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5NC(=O)CC6=CC=CC=N6

InChI

InChI=1S/C29H27N3O5S/c1-37-28-18(10-11-19-26(28)32(17-8-9-17)15-21(27(19)34)29(35)36)24-14-20-22(6-4-7-23(20)38-24)31-25(33)13-16-5-2-3-12-30-16/h2-3,5,10-12,14-15,17,22H,4,6-9,13H2,1H3,(H,31,33)(H,35,36)