ethyl 5-methyl-2-[(2-methylsulfanylpyridin-3-yl)carbonyl-phenethyl-amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(2-methylsulfanylpyridin-3-yl)carbonyl-phenethyl-amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 5-methyl-2-[(2-methylsulfanylpyridine-3-carbonyl)-phenethyl-amino]thiazole-4-carboxylate CAS Name: 5-methyl-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]-phenethylamino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2-methylsulfanylpyridine-3-carbonyl)-phenethylamino]-1,3-thiazole-4-carboxylate Traditional Name: 5-methyl-2-[[2-(methylthio)nicotinoyl]-phenethyl-amino]thiazole-4-carboxylic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC)C

InChI

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