ethyl 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-[[3-carbethoxy-4-(4-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22ClN3O6S2 MolecularWeight: 536.02028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC)SC

InChI

InChI=1S/C23H22ClN3O6S2/c1-4-32-21(30)15-10-25-23(34-3)27(20(15)29)11-17(28)26-19-18(22(31)33-5-2)16(12-35-19)13-6-8-14(24)9-7-13/h6-10,12H,4-5,11H2,1-3H3,(H,26,28)