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

Systemtic Name: methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(2-indolin-1-yl-2-oxo-ethyl)sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-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]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(2-indolin-1-yl-2-keto-ethyl)thio]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S2/c1-3-11-27-19-9-8-17(23(30)31-2)13-20(19)33-24(27)25-21(28)14-32-15-22(29)26-12-10-16-6-4-5-7-18(16)26/h1,4-9,13H,10-12,14-15H2,2H3