ethyl (4R)-6-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16ClN3O3S2 MolecularWeight: 397.89954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H16ClN3O3S2/c1-3-23-14(21)13-8(2)18-15(22)19-11(13)7-24-16-20-10-6-9(17)4-5-12(10)25-16/h4-6,8H,3,7H2,1-2H3,(H2,18,19,22)/t8-/m1/s1