[(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-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] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [(3Z)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5S/c1-22(2)17-7-5-6-8-19(17)24(3)20(22)11-14(25)13-29-21(26)16-12-15(30(4,27)28)9-10-18(16)23/h5-12H,13H2,1-4H3/b20-11-