ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC3=C(C=CC=C3C)C(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC3=C(C=CC=C3C)C(=C2)C)C

InChI

InChI=1S/C21H23N3O3S2/c1-6-27-20(26)18-13(4)22-21(29-18)24-19(25)14(5)28-16-10-12(3)15-9-7-8-11(2)17(15)23-16/h7-10,14H,6H2,1-5H3,(H,22,24,25)