2-[2-(5-chloranyl-2-methoxy-phenyl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(5-chloranyl-2-methoxy-phenyl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(5-chloro-2-methoxy-phenyl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(5-chloro-2-methoxyphenyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(5-chloro-2-methoxy-phenyl)acetyl]amino]-4-(methylthio)butyric acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C14H18ClNO4S/c1-20-12-4-3-10(15)7-9(12)8-13(17)16-11(14(18)19)5-6-21-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)