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

Systemtic Name: methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(2-indolin-1-yl-2-oxo-ethyl)sulfanylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(2-indolin-1-yl-2-keto-ethyl)thio]acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O4S2/c1-24-17-8-7-15(21(28)29-2)11-18(17)31-22(24)23-19(26)12-30-13-20(27)25-10-9-14-5-3-4-6-16(14)25/h3-8,11H,9-10,12-13H2,1-2H3