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

Systemtic Name: 1-cyclopropyl-8-methoxy-7-[4-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-methoxy-7-[4-(morpholinomethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-7-[4-(4-morpholinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-7-[4-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[4-(morpholinomethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

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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)CCCC5CN6CCOCC6

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5CN6CCOCC6

InChI

InChI=1S/C27H30N2O5S/c1-33-26-18(7-8-19-24(26)29(17-5-6-17)15-21(25(19)30)27(31)32)23-13-20-16(3-2-4-22(20)35-23)14-28-9-11-34-12-10-28/h7-8,13,15-17H,2-6,9-12,14H2,1H3,(H,31,32)