methyl 5-azanyl-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C14H14N4O3S2 MolecularWeight: 350.41596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3C(=C(C(=N3)SC)C(=O)OC)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3C(=C(C(=N3)SC)C(=O)OC)N

InChI

InChI=1S/C14H14N4O3S2/c1-20-7-4-5-8-9(6-7)23-14(16-8)18-11(15)10(13(19)21-2)12(17-18)22-3/h4-6H,15H2,1-3H3