ethyl 3-chloranyl-4-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[(2-benzylsulfanylbenzoyl)amino]-3-chloro-benzoate CAS Name: 3-chloro-4-[[oxo-[2-(phenylmethylthio)phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzylsulfanylbenzoyl)amino]-3-chlorobenzoate Traditional Name: 4-[[2-(benzylthio)benzoyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H20ClNO3S/c1-2-28-23(27)17-12-13-20(19(24)14-17)25-22(26)18-10-6-7-11-21(18)29-15-16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,25,26)