2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[(2-indolin-1-yl-2-keto-ethyl)thio]-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCC4=CC=CC=C43)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCC4=CC=CC=C43)S2)CC#C

InChI

InChI=1S/C23H21N3O3S2/c1-3-11-26-19-9-8-17(29-2)13-20(19)31-23(26)24-21(27)14-30-15-22(28)25-12-10-16-6-4-5-7-18(16)25/h1,4-9,13H,10-12,14-15H2,2H3