[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C20H20N2O5S/c1-2-11-28-17-6-4-3-5-16(17)22-19(24)13-27-20(25)14-7-9-15(10-8-14)26-12-18(21)23/h2-10H,1,11-13H2,(H2,21,23)(H,22,24)