ethyl 1-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H27N3O6S2 MolecularWeight: 529.62838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O6S2/c1-5-33-23(31)18-12-26-25(35-14-17-10-8-7-9-11-17)28(22(18)30)13-19(29)27-21-20(24(32)34-6-2)15(3)16(4)36-21/h7-12H,5-6,13-14H2,1-4H3,(H,27,29)