methyl 2-[2-[5-ethoxycarbonyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-[5-ethoxycarbonyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(2-benzylsulfanyl-5-ethoxycarbonyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[5-ethoxycarbonyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-benzylsulfanyl-5-ethoxycarbonyl-6-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[2-(benzylthio)-5-carbethoxy-6-keto-pyrimidin-1-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C22H22N4O6S2 MolecularWeight: 502.56328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=NC(=C(S2)C(=O)OC)C)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=NC(=C(S2)C(=O)OC)C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O6S2/c1-4-32-19(29)15-10-23-22(33-12-14-8-6-5-7-9-14)26(18(15)28)11-16(27)25-21-24-13(2)17(34-21)20(30)31-3/h5-10H,4,11-12H2,1-3H3,(H,24,25,27)