methyl 2-[5,7-dimethyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,7-dimethyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-benzylsulfonylacetyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzylsulfonylacetyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-benzylsulfonylacetyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC)C

InChI

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