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

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[4-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(3-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(3-pyridinylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[4-(3-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid Formula: C28H27N3O4S MolecularWeight: 501.59668

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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)CCCC5NCC6=CN=CC=C6

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5NCC6=CN=CC=C6

InChI

InChI=1S/C28H27N3O4S/c1-35-27-18(9-10-19-25(27)31(17-7-8-17)15-21(26(19)32)28(33)34)24-12-20-22(5-2-6-23(20)36-24)30-14-16-4-3-11-29-13-16/h3-4,9-13,15,17,22,30H,2,5-8,14H2,1H3,(H,33,34)