2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-3-methoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-3-methoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-3-methoxy-3-oxo-propanoic acid CAS Name: 2-[[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]thio]-3-methoxy-3-oxopropanoic acid IUPAC Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-3-methoxy-3-oxopropanoic acid Traditional Name: 2-[[4-(2,2-dimethylbutanoylamino)phenyl]thio]-3-keto-3-methoxy-propionic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=CC=C(C=C1)SC(C(=O)O)C(=O)OC

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC=C(C=C1)SC(C(=O)O)C(=O)OC

InChI

InChI=1S/C16H21NO5S/c1-5-16(2,3)15(21)17-10-6-8-11(9-7-10)23-12(13(18)19)14(20)22-4/h6-9,12H,5H2,1-4H3,(H,17,21)(H,18,19)