3-(3-chlorophenyl)-3-[(4-methoxy-2-methylsulfanyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(3-chlorophenyl)-3-[(4-methoxy-2-methylsulfanyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(3-chlorophenyl)-3-[(4-methoxy-2-methylsulfanyl-benzoyl)amino]propanoic acid CAS Name: 3-(3-chlorophenyl)-3-[[[4-methoxy-2-(methylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-chlorophenyl)-3-[(4-methoxy-2-methylsulfanylbenzoyl)amino]propanoic acid Traditional Name: 3-(3-chlorophenyl)-3-[[4-methoxy-2-(methylthio)benzoyl]amino]propionic acid Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)Cl)SC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)Cl)SC

InChI

InChI=1S/C18H18ClNO4S/c1-24-13-6-7-14(16(9-13)25-2)18(23)20-15(10-17(21)22)11-4-3-5-12(19)8-11/h3-9,15H,10H2,1-2H3,(H,20,23)(H,21,22)