methyl 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzothiazol-2-ylmethylthio)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-ylmethylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C15H13N3O3S2/c1-8-12(14(19)21-2)13(18-15(20)16-8)22-7-11-17-9-5-3-4-6-10(9)23-11/h3-6H,7H2,1-2H3,(H,16,18,20)