ethyl 2-[[4-[(4-chlorophenyl)sulfanylmethyl]-5-ethoxycarbonyl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-[(4-chlorophenyl)sulfanylmethyl]-5-ethoxycarbonyl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-[(4-chlorophenyl)sulfanylmethyl]-5-ethoxycarbonyl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[[(4-chlorophenyl)thio]methyl]-5-ethoxycarbonyl-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-chlorophenyl)sulfanylmethyl]-5-ethoxycarbonylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[5-carbethoxy-4-[[(4-chlorophenyl)thio]methyl]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC2=CC=C(C=C2)Cl)NC3=NC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC2=CC=C(C=C2)Cl)NC3=NC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C21H21ClN4O4S2/c1-4-29-18(27)15-10-23-20(25-16(15)11-31-14-8-6-13(22)7-9-14)26-21-24-12(3)17(32-21)19(28)30-5-2/h6-10H,4-5,11H2,1-3H3,(H,23,24,25,26)