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

Systemtic Name: prop-2-enyl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S2/c1-5-11-28-21(27)19-14(4)23-22(30-19)25-20(26)17(6-2)29-18-12-13(3)15-9-7-8-10-16(15)24-18/h5,7-10,12,17H,1,6,11H2,2-4H3,(H,23,25,26)