N-(1,3-benzothiazol-2-yl)-1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-cyclopropyl-6,7-difluoro-4-keto-8-methoxy-quinoline-3-carboxamide Formula: C21H15F2N3O3S MolecularWeight: 427.423906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H15F2N3O3S/c1-29-19-16(23)13(22)8-11-17(19)26(10-6-7-10)9-12(18(11)27)20(28)25-21-24-14-4-2-3-5-15(14)30-21/h2-5,8-10H,6-7H2,1H3,(H,24,25,28)