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

Systemtic Name: propan-2-yl 4-methyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-5-16(28-17-11-10-14-8-6-7-9-15(14)23-17)19(25)24-21-22-13(4)18(29-21)20(26)27-12(2)3/h6-12,16H,5H2,1-4H3,(H,22,24,25)