3-[(1Z)-1-(2-oxidanylidene-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propyl methanesulfonate

Systemtic Name: 3-[(1Z)-1-(2-oxidanylidene-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propyl methanesulfonate Openeye Name: 3-[(1Z)-1-(2-oxoindolin-3-ylidene)-3H-isobenzofuran-5-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[(1Z)-1-(2-oxo-1H-indol-3-ylidene)-3H-isobenzofuran-5-yl]propyl ester IUPAC Name: 3-[(1Z)-1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[(1Z)-1-(2-ketoindolin-3-ylidene)phthalan-5-yl]propyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC1=CC2=C(C=C1)C(=C3C4=CC=CC=C4NC3=O)OC2

Isomeric SMILES

CS(=O)(=O)OCCCC1=CC2=C(C=C1)/C(=C/3\C4=CC=CC=C4NC3=O)/OC2

InChI

InChI=1S/C20H19NO5S/c1-27(23,24)26-10-4-5-13-8-9-15-14(11-13)12-25-19(15)18-16-6-2-3-7-17(16)21-20(18)22/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,21,22)/b19-18-