ethyl 2-methylsulfanyl-4-[(3-thiophen-2-ylsulfonyloxyphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(3-thiophen-2-ylsulfonyloxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(2-thienylsulfonyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(3-thiophen-2-ylsulfonyloxyanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(3-thiophen-2-ylsulfonyloxyanilino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-(2-thienylsulfonyloxy)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N3O5S3 MolecularWeight: 451.53968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CS3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CS3)SC

InChI

InChI=1S/C18H17N3O5S3/c1-3-25-17(22)14-11-19-18(27-2)21-16(14)20-12-6-4-7-13(10-12)26-29(23,24)15-8-5-9-28-15/h4-11H,3H2,1-2H3,(H,19,20,21)