ethyl 2-[2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4,8-dimethyl-2-oxo-1-quinolyl)butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4,8-dimethyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(2-keto-4,8-dimethyl-1-quinolyl)butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

InChI

InChI=1S/C25H25N3O4S/c1-5-19(28-21(29)12-15(4)17-9-7-8-14(3)22(17)28)23(30)27-25-26-18-11-10-16(13-20(18)33-25)24(31)32-6-2/h7-13,19H,5-6H2,1-4H3,(H,26,27,30)