methyl 2-chloranyl-5-[[4-(2-phenylsulfanylethoxy)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[4-(2-phenylsulfanylethoxy)phenyl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate CAS Name: 2-chloro-5-[[oxo-[4-[2-(phenylthio)ethoxy]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate Traditional Name: 2-chloro-5-[[4-[2-(phenylthio)ethoxy]benzoyl]amino]benzoic acid methyl ester Formula: C23H20ClNO4S MolecularWeight: 441.9272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)OCCSC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)OCCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H20ClNO4S/c1-28-23(27)20-15-17(9-12-21(20)24)25-22(26)16-7-10-18(11-8-16)29-13-14-30-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,25,26)