[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C14H12ClNO3S MolecularWeight: 309.76798

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C14H12ClNO3S/c1-20-9-4-5-11(15)10(7-9)14(18)19-8-13(17)12-3-2-6-16-12/h2-7,16H,8H2,1H3