3-acetamido-4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]sulfanyl-butanoic acid

Systemtic Name: 3-acetamido-4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]sulfanyl-butanoic acid Openeye Name: 3-acetamido-4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]sulfanyl-butanoic acid CAS Name: 3-acetamido-4-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]thio]butanoic acid IUPAC Name: 3-acetamido-4-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanylbutanoic acid Traditional Name: 3-acetamido-4-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]thio]butyric acid Formula: C16H20ClNO5S MolecularWeight: 373.8517

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)CSC(=O)C(C)(C)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)O)CSC(=O)C(C)(C)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H20ClNO5S/c1-10(19)18-12(8-14(20)21)9-24-15(22)16(2,3)23-13-6-4-11(17)5-7-13/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)