methyl 3-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H22N2O5S2/c1-13(2)30(26,27)16-8-5-14(6-9-16)11-19(24)22-21-23(3)17-10-7-15(20(25)28-4)12-18(17)29-21/h5-10,12-13H,11H2,1-4H3