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

Systemtic Name: methyl 4-chloranyl-3-(3-phenylsulfanylpropanoylamino)benzoate Openeye Name: methyl 4-chloro-3-(3-phenylsulfanylpropanoylamino)benzoate CAS Name: 4-chloro-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(3-phenylsulfanylpropanoylamino)benzoate Traditional Name: 4-chloro-3-[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=CC(=C(C=C1)Cl)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

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

InChI

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