[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-2-14-28-20-11-4-3-10-19(20)23-21(25)16-27-22(26)17-8-7-9-18(15-17)24-12-5-6-13-24/h2-13,15H,1,14,16H2,(H,23,25)