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

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-methoxyphenyl)sulfonyl-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-methoxyphenyl)sulfonylacetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H20N2O6S2 MolecularWeight: 472.534

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S2/c1-4-12-24-18-11-6-15(21(26)30-5-2)13-19(18)31-22(24)23-20(25)14-32(27,28)17-9-7-16(29-3)8-10-17/h1,6-11,13H,5,12,14H2,2-3H3