1,3-benzothiazol-2-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](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)/p+1/t12-/m0/s1