1,3-benzothiazol-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C14H13N3O2S2 MolecularWeight: 319.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N3O2S2/c1-8-9(6-15-14(20)16-8)13(18)19-7-12-17-10-4-2-3-5-11(10)21-12/h2-5H,6-7H2,1H3,(H2,15,16,20)