methyl 2-[6-ethoxy-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-benzylsulfonylacetyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzylsulfonylacetyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-benzylsulfonylacetyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C21H22N2O6S2/c1-3-29-16-9-10-17-18(11-16)30-21(23(17)12-20(25)28-2)22-19(24)14-31(26,27)13-15-7-5-4-6-8-15/h4-11H,3,12-14H2,1-2H3