[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C17H19NO3S/c1-11-9-14(12(2)18(11)3)15(19)10-21-17(20)13-7-5-6-8-16(13)22-4/h5-9H,10H2,1-4H3