methyl 4-chloranyl-3-(2-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(2-phenylsulfanylpropanoylamino)benzoate Openeye Name: methyl 4-chloro-3-(2-phenylsulfanylpropanoylamino)benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(phenylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(2-phenylsulfanylpropanoylamino)benzoate Traditional Name: 4-chloro-3-[2-(phenylthio)propanoylamino]benzoic acid methyl ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)SC2=CC=CC=C2

InChI

InChI=1S/C17H16ClNO3S/c1-11(23-13-6-4-3-5-7-13)16(20)19-15-10-12(17(21)22-2)8-9-14(15)18/h3-11H,1-2H3,(H,19,20)