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

Systemtic Name: ethyl 4-(1-benzothiophen-2-yl)-2-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(benzothiophen-2-yl)-2-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]pyrimidine-5-carboxylate CAS Name: 4-(1-benzothiophen-2-yl)-2-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzothiophen-2-yl)-2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]pyrimidine-5-carboxylate Traditional Name: 4-(benzothiophen-2-yl)-2-(citraconimidoamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC3=CC=CC=C3S2)NN4C(=O)C=C(C4=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC3=CC=CC=C3S2)NN4C(=O)C=C(C4=O)C

InChI

InChI=1S/C20H16N4O4S/c1-3-28-19(27)13-10-21-20(23-24-16(25)8-11(2)18(24)26)22-17(13)15-9-12-6-4-5-7-14(12)29-15/h4-10H,3H2,1-2H3,(H,21,22,23)