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

Systemtic Name: methyl 2-[6-methylsulfonyl-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-isopropoxybenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-isopropoxybenzoyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C21H22N2O6S2/c1-13(2)29-15-7-5-14(6-8-15)20(25)22-21-23(12-19(24)28-3)17-10-9-16(31(4,26)27)11-18(17)30-21/h5-11,13H,12H2,1-4H3