ethyl 2-[2-(4-methoxyphenyl)sulfonylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)sulfonylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-methoxyphenyl)sulfonyl-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S2/c1-4-28-19(24)13-5-10-16-17(11-13)29-20(22(16)2)21-18(23)12-30(25,26)15-8-6-14(27-3)7-9-15/h5-11H,4,12H2,1-3H3