methyl 2-chloranyl-5-(3-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: methyl 2-chloranyl-5-(3-phenylsulfanylpropanoylamino)benzoate Openeye Name: methyl 2-chloro-5-(3-phenylsulfanylpropanoylamino)benzoate CAS Name: 2-chloro-5-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-(3-phenylsulfanylpropanoylamino)benzoate Traditional Name: 2-chloro-5-[3-(phenylthio)propanoylamino]benzoic acid methyl ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CCSC2=CC=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CCSC2=CC=CC=C2)Cl

InChI

InChI=1S/C17H16ClNO3S/c1-22-17(21)14-11-12(7-8-15(14)18)19-16(20)9-10-23-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20)