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

Systemtic Name: methyl 2-[2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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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=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-14(2)30(26,27)16-10-8-15(9-11-16)12-19(24)22-21-23(13-20(25)28-3)17-6-4-5-7-18(17)29-21/h4-11,14H,12-13H2,1-3H3