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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-ammonium Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N4O3S/c1-3-24-16(22)11-8-18-17(23)20-13(11)9-21(2)10-15-19-12-6-4-5-7-14(12)25-15/h4-7H,3,8-10H2,1-2H3,(H2,18,20,23)/p+1