N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide Openeye Name: 1-allyl-2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-quinoline-3-carboxamide CAS Name: 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-1-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-1-prop-2-enylquinoline-3-carboxamide Traditional Name: 1-allyl-2-hydroxy-4-keto-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-3-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(C4=CC=CC=C4C3=O)CC=C)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(C4=CC=CC=C4C3=O)CC=C)O

InChI

InChI=1S/C21H17N3O3S/c1-3-10-24-15-7-5-4-6-13(15)18(25)17(20(24)27)19(26)23-21-22-14-9-8-12(2)11-16(14)28-21/h3-9,11,27H,1,10H2,2H3,(H,22,23,26)