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

Systemtic Name: ethyl 2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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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=C(C=C4C(=C3)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S2/c1-6-20(33-22-12-15(4)18-11-14(3)10-16(5)23(18)28-22)24(30)29-26-27-19-9-8-17(13-21(19)34-26)25(31)32-7-2/h8-13,20H,6-7H2,1-5H3,(H,27,29,30)