2-methylpropyl 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]thiazole-5-carboxylic acid isobutyl ester Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC(C)C)C)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC(C)C)C)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C

InChI

InChI=1S/C25H31N3O3S2/c1-8-19(32-20-11-15(5)18-10-14(4)9-16(6)21(18)27-20)23(29)28-25-26-17(7)22(33-25)24(30)31-12-13(2)3/h9-11,13,19H,8,12H2,1-7H3,(H,26,28,29)