2-[2-(2-chlorophenyl)sulfanylethanoylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[2-(2-chlorophenyl)sulfanylethanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[2-[(2-chlorophenyl)thio]-1-oxoethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-[(2-chlorophenyl)thio]acetyl]amino]-3,3-dimethyl-butyric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CSC1=CC=CC=C1Cl

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CSC1=CC=CC=C1Cl

InChI

InChI=1S/C14H18ClNO3S/c1-14(2,3)12(13(18)19)16-11(17)8-20-10-7-5-4-6-9(10)15/h4-7,12H,8H2,1-3H3,(H,16,17)(H,18,19)