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

Systemtic Name: 7-(4-azido-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-azido-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-azido-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-azido-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-azido-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H20N4O4S MolecularWeight: 436.4836

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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)CCCC5N=[N+]=[N-]

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5N=[N+]=[N-]

InChI

InChI=1S/C22H20N4O4S/c1-30-21-12(18-9-14-16(24-25-23)3-2-4-17(14)31-18)7-8-13-19(21)26(11-5-6-11)10-15(20(13)27)22(28)29/h7-11,16H,2-6H2,1H3,(H,28,29)