ethyl 2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-methyl-2-oxo-1-quinolyl)butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-methyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(2-keto-4-methyl-1-quinolyl)butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C24H23N3O4S/c1-4-18(27-19-9-7-6-8-16(19)14(3)12-21(27)28)22(29)26-24-25-17-11-10-15(13-20(17)32-24)23(30)31-5-2/h6-13,18H,4-5H2,1-3H3,(H,25,26,29)