dimethyl 5-[2-[5-ethoxycarbonyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[5-ethoxycarbonyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-benzylsulfanyl-5-ethoxycarbonyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[5-ethoxycarbonyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2-benzylsulfanyl-5-ethoxycarbonyl-6-oxopyrimidin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[2-(benzylthio)-5-carbethoxy-6-keto-pyrimidin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H25N3O8S2 MolecularWeight: 559.6113

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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(=O)OC)C)C(=O)OC)SCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O8S2/c1-5-36-22(31)16-11-26-25(37-13-15-9-7-6-8-10-15)28(21(16)30)12-17(29)27-20-18(23(32)34-3)14(2)19(38-20)24(33)35-4/h6-11H,5,12-13H2,1-4H3,(H,27,29)