[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(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-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C18H21NO4S/c1-11-8-15(12(2)19(11)3)16(20)10-23-18(21)14-7-6-13(24-5)9-17(14)22-4/h6-9H,10H2,1-5H3