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

Systemtic Name: 7-(5-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(5-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(5-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(5-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(5-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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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)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCC(C5)N

InChI

InChI=1S/C22H22N2O4S/c1-28-21-14(18-9-11-8-12(23)2-7-17(11)29-18)5-6-15-19(21)24(13-3-4-13)10-16(20(15)25)22(26)27/h5-6,9-10,12-13H,2-4,7-8,23H2,1H3,(H,26,27)