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

Systemtic Name: 7-[5-(azidomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[5-(azidomethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[5-(azidomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[5-(azidomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[5-(azidomethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H22N4O4S MolecularWeight: 450.51018

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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)CCC(C5)CN=[N+]=[N-]

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCC(C5)CN=[N+]=[N-]

InChI

InChI=1S/C23H22N4O4S/c1-31-22-15(19-9-13-8-12(10-25-26-24)2-7-18(13)32-19)5-6-16-20(22)27(14-3-4-14)11-17(21(16)28)23(29)30/h5-6,9,11-12,14H,2-4,7-8,10H2,1H3,(H,29,30)