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

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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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)SC)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO3S/c1-22(2)17-7-5-6-8-19(17)24(3)20(22)11-14(25)13-27-21(26)16-12-15(28-4)9-10-18(16)23/h5-12H,13H2,1-4H3