[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic 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-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-21(2)16-9-5-6-10-17(16)23(3)18(21)12-14(24)13-26-20(25)15-8-7-11-22-19(15)27-4/h5-12H,13H2,1-4H3