methyl 2-[2-(2-methylpyrazol-3-yl)carbonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-methylpyrazol-3-yl)carbonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-methylpyrazole-3-carbonyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-methyl-3-pyrazolyl)-oxomethyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylpyrazole-3-carbonyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-methylpyrazole-3-carbonyl)imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC(=O)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC(=O)OC

InChI

InChI=1S/C16H16N4O3S2/c1-19-12(6-7-17-19)15(22)18-16-20(9-14(21)23-2)11-5-4-10(24-3)8-13(11)25-16/h4-8H,9H2,1-3H3