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

Systemtic Name: ethyl 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-[[3-carbethoxy-4-(4-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C30H28ClN3O6S2 MolecularWeight: 626.14282

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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)SCCC4=CC=CC=C4

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)SCCC4=CC=CC=C4

InChI

InChI=1S/C30H28ClN3O6S2/c1-3-39-28(37)22-16-32-30(41-15-14-19-8-6-5-7-9-19)34(27(22)36)17-24(35)33-26-25(29(38)40-4-2)23(18-42-26)20-10-12-21(31)13-11-20/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,33,35)