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

Systemtic Name: methyl 2-[6-methylsulfanyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-(methylthio)-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfanyl-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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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)SC)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S3/c1-14(2)32(27,28)17-8-5-15(6-9-17)11-20(25)23-22-24(13-21(26)29-3)18-10-7-16(30-4)12-19(18)31-22/h5-10,12,14H,11,13H2,1-4H3