2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(CCSC)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(CCSC)C(=O)O)Cl

InChI

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