dimethyl 5-[3-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(4-amino-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[3-[(4-amino-5-ethoxycarbonyl-2-pyrimidinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[(4-amino-5-carbethoxy-pyrimidin-2-yl)thio]-2,5-diketo-pyrrolidino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N4O8S MolecularWeight: 488.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H20N4O8S/c1-4-33-20(30)13-9-23-21(24-16(13)22)34-14-8-15(26)25(17(14)27)12-6-10(18(28)31-2)5-11(7-12)19(29)32-3/h5-7,9,14H,4,8H2,1-3H3,(H2,22,23,24)