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

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-7-(7-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(7-hydroxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(7-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(7-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(7-hydroxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=C(S2)C3=CC4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)O

Isomeric SMILES

C1CC(C2=C(C1)C=C(S2)C3=CC4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)O

InChI

InChI=1S/C21H19NO4S/c23-17-3-1-2-12-9-18(27-20(12)17)11-4-7-14-16(8-11)22(13-5-6-13)10-15(19(14)24)21(25)26/h4,7-10,13,17,23H,1-3,5-6H2,(H,25,26)