2-[2-(3,4-dichlorophenyl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(3,4-dichlorophenyl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(3,4-dichlorophenyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-(methylthio)butyric acid Formula: C13H15Cl2NO3S MolecularWeight: 336.2341

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO3S/c1-20-5-4-11(13(18)19)16-12(17)7-8-2-3-9(14)10(15)6-8/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)(H,18,19)