ethyl 4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-2-(phenylsulfonyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-2-(phenylsulfonyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(benzenesulfonyl)-4-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]pyrimidine-5-carboxylate CAS Name: 2-(benzenesulfonyl)-4-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonyl)-4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]pyrimidine-5-carboxylate Traditional Name: 2-besyl-4-(citraconimidoamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NN2C(=O)C=C(C2=O)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NN2C(=O)C=C(C2=O)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O6S/c1-3-28-17(25)13-10-19-18(29(26,27)12-7-5-4-6-8-12)20-15(13)21-22-14(23)9-11(2)16(22)24/h4-10H,3H2,1-2H3,(H,19,20,21)