ethyl 2-methylsulfanyl-4-[[3-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyloxy]phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyloxy]phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyloxy]anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyloxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyloxy]anilino]pyrimidine-5-carboxylate Traditional Name: 4-[3-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyloxy]anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18N4O7S2 MolecularWeight: 502.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)SC

InChI

InChI=1S/C21H18N4O7S2/c1-3-30-19(26)15-11-22-20(33-2)25-18(15)23-12-5-4-6-13(9-12)32-34(28,29)14-7-8-16-17(10-14)31-21(27)24-16/h4-11H,3H2,1-2H3,(H,24,27)(H,22,23,25)