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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=NC3=C(C=CC=C3C)C(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=NC3=C(C=CC=C3C)C(=C2)C)C

InChI

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