ethyl 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzoxazol-2-ylthio)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=NC3=CC=CC=C3O2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=NC3=CC=CC=C3O2)SC

InChI

InChI=1S/C15H13N3O3S2/c1-3-20-13(19)9-8-16-14(22-2)18-12(9)23-15-17-10-6-4-5-7-11(10)21-15/h4-8H,3H2,1-2H3