methyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H16N4O3S2/c1-11-16(17(24)25-2)27-18(21-11)22-14(23)9-26-15-8-13(19-10-20-15)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,21,22,23)