methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(2-indolin-1-yl-2-oxo-ethyl)sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(2-indolin-1-yl-2-keto-ethyl)sulfonylacetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H21N3O6S2 MolecularWeight: 511.57004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCC4=CC=CC=C43)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCC4=CC=CC=C43)S2)CC#C

InChI

InChI=1S/C24H21N3O6S2/c1-3-11-27-19-9-8-17(23(30)33-2)13-20(19)34-24(27)25-21(28)14-35(31,32)15-22(29)26-12-10-16-6-4-5-7-18(16)26/h1,4-9,13H,10-12,14-15H2,2H3