2-methylpropyl 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[2-(2-quinolylsulfanyl)butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-(2-quinolylthio)butanoylamino]thiazole-5-carboxylic acid isobutyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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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=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-5-17(29-18-11-10-15-8-6-7-9-16(15)24-18)20(26)25-22-23-14(4)19(30-22)21(27)28-12-13(2)3/h6-11,13,17H,5,12H2,1-4H3,(H,23,25,26)