ethyl 3-methyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-benzylsulfonylacetyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfonylacetyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-benzylsulfonylacetyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S2/c1-3-27-19(24)15-9-10-16-17(11-15)28-20(22(16)2)21-18(23)13-29(25,26)12-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3