2-[6-(1,2-dihydropyrimidin-2-yl)-4,5-dimethyl-1,2-benzothiazol-3-yl]ethanoate

Systemtic Name: 2-[6-(1,2-dihydropyrimidin-2-yl)-4,5-dimethyl-1,2-benzothiazol-3-yl]ethanoate Openeye Name: 2-[6-(1,2-dihydropyrimidin-2-yl)-4,5-dimethyl-1,2-benzothiazol-3-yl]acetate CAS Name: 2-[6-(1,2-dihydropyrimidin-2-yl)-4,5-dimethyl-1,2-benzothiazol-3-yl]acetate IUPAC Name: 2-[6-(1,2-dihydropyrimidin-2-yl)-4,5-dimethyl-1,2-benzothiazol-3-yl]acetate Traditional Name: 2-[6-(1,2-dihydropyrimidin-2-yl)-4,5-dimethyl-1,2-benzothiazol-3-yl]acetate Formula: C15H14N3O2S- MolecularWeight: 300.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1C3NC=CC=N3)SN=C2CC(=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1C3NC=CC=N3)SN=C2CC(=O)[O-])C

InChI

InChI=1S/C15H15N3O2S/c1-8-9(2)14-11(7-13(19)20)18-21-12(14)6-10(8)15-16-4-3-5-17-15/h3-6,15-16H,7H2,1-2H3,(H,19,20)/p-1