[(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methylsulfonylbenzoate

Systemtic Name: [(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methylsulfonylbenzoate Openeye Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [(3Z)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [(3Z)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C)C

InChI

InChI=1S/C22H23NO5S/c1-22(2)18-10-5-6-11-19(18)23(3)20(22)13-16(24)14-28-21(25)15-8-7-9-17(12-15)29(4,26)27/h5-13H,14H2,1-4H3/b20-13-