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

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[4-(pyrrolidin-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(pyrrolidin-2-ylmethylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(2-pyrrolidinylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(pyrrolidin-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[4-(pyrrolidin-2-ylmethylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid Formula: C27H31N3O4S MolecularWeight: 493.61774

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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)CCCC5NCC6CCCN6

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5NCC6CCCN6

InChI

InChI=1S/C27H31N3O4S/c1-34-26-17(9-10-18-24(26)30(16-7-8-16)14-20(25(18)31)27(32)33)23-12-19-21(5-2-6-22(19)35-23)29-13-15-4-3-11-28-15/h9-10,12,14-16,21,28-29H,2-8,11,13H2,1H3,(H,32,33)