ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C25H25N3O3S2/c1-5-19(32-21-12-15(4)17-9-7-8-14(3)22(17)27-21)23(29)28-25-26-18-11-10-16(13-20(18)33-25)24(30)31-6-2/h7-13,19H,5-6H2,1-4H3,(H,26,28,29)