ethyl 2-[2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H24N4O5S2 MolecularWeight: 464.55836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=NN(C(=C3)C)C(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=NN(C(=C3)C)C(C)C

InChI

InChI=1S/C20H24N4O5S2/c1-6-29-18(25)11-23-16-8-7-14(31(5,27)28)10-17(16)30-20(23)21-19(26)15-9-13(4)24(22-15)12(2)3/h7-10,12H,6,11H2,1-5H3