methyl 2-[6-methylsulfanyl-2-(4-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfanyl-2-(4-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-isopropylsulfonylbenzoyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-(methylthio)-2-[oxo-(4-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfanyl-2-(4-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-isopropylsulfonylbenzoyl)imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S3/c1-13(2)31(26,27)16-8-5-14(6-9-16)20(25)22-21-23(12-19(24)28-3)17-10-7-15(29-4)11-18(17)30-21/h5-11,13H,12H2,1-4H3