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

Systemtic Name: ethyl 2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C25H25N3O3S2/c1-5-31-24(30)17-6-7-19-20(13-17)33-25(26-19)27-21(29)8-9-32-22-12-15(3)18-11-14(2)10-16(4)23(18)28-22/h6-7,10-13H,5,8-9H2,1-4H3,(H,26,27,29)