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

Systemtic Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H17N3O3S2/c1-3-22-14(20)13-9(2)17-15(21)18-11(13)8-23-16-19-10-6-4-5-7-12(10)24-16/h4-7,9H,3,8H2,1-2H3,(H2,17,18,21)