[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-azanyl-3-methylsulfanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-azanyl-3-methylsulfanyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 4-amino-3-methylsulfanyl-benzoate CAS Name: 4-amino-3-(methylthio)benzoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-amino-3-methylsulfanylbenzoate Traditional Name: 4-amino-3-(methylthio)benzoic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N)SC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N)SC

InChI

InChI=1S/C23H22N2O4S/c1-15(28-23(27)16-8-13-20(24)21(14-16)30-2)22(26)25-17-9-11-19(12-10-17)29-18-6-4-3-5-7-18/h3-15H,24H2,1-2H3,(H,25,26)