propan-2-yl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: propan-2-yl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isopropyl 4-methyl-2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-5-thiazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]thiazole-5-carboxylic acid isopropyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-6-17(29-18-11-13(4)15-9-7-8-10-16(15)24-18)20(26)25-22-23-14(5)19(30-22)21(27)28-12(2)3/h7-12,17H,6H2,1-5H3,(H,23,25,26)