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

Systemtic Name: methyl 2-[2-(2-ethanoylsulfonylethanoylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-acetylsulfonylacetyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-(2-acetylsulfonyl-1-oxoethyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-acetylsulfonylacetyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-acetylsulfonylacetyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7S2/c1-4-25-11-5-6-12-13(7-11)26-16(18(12)8-15(21)24-3)17-14(20)9-27(22,23)10(2)19/h5-7H,4,8-9H2,1-3H3