ethyl 1-[2-[(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[(5-acetyl-4-methyl-thiazol-2-yl)amino]-2-oxo-ethyl]-2-benzylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[(5-acetyl-4-methyl-2-thiazolyl)amino]-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-benzylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-[(5-acetyl-4-methyl-thiazol-2-yl)amino]-2-keto-ethyl]-2-(benzylthio)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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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)C)C)SCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5S2/c1-4-31-20(30)16-10-23-22(32-12-15-8-6-5-7-9-15)26(19(16)29)11-17(28)25-21-24-13(2)18(33-21)14(3)27/h5-10H,4,11-12H2,1-3H3,(H,24,25,28)