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

Systemtic Name: ethyl 2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(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)C(C)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

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