ethyl (4S)-6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(C)CC2=NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN(C)CC2=NC3=CC=CC=C3S2)C(=O)OCC

InChI

InChI=1S/C19H24N4O3S/c1-4-12-17(18(24)26-5-2)14(22-19(25)21-12)10-23(3)11-16-20-13-8-6-7-9-15(13)27-16/h6-9,12H,4-5,10-11H2,1-3H3,(H2,21,22,25)/t12-/m0/s1