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

Systemtic Name: ethyl (4S)-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC3=CC=CC=C3S2)C(=O)OCC

InChI

InChI=1S/C17H19N3O3S2/c1-3-10-14(15(21)23-4-2)12(19-16(22)18-10)9-24-17-20-11-7-5-6-8-13(11)25-17/h5-8,10H,3-4,9H2,1-2H3,(H2,18,19,22)/t10-/m0/s1