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

Systemtic Name: 7-(7-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7-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)C(CCC5)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)C(CCC5)N

InChI

InChI=1S/C22H22N2O4S/c1-28-20-13(17-9-11-3-2-4-16(23)21(11)29-17)7-8-14-18(20)24(12-5-6-12)10-15(19(14)25)22(26)27/h7-10,12,16H,2-6,23H2,1H3,(H,26,27)