2-[2-oxidanylidene-2-[(2-propan-2-yloxyphenyl)amino]ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(2-propan-2-yloxyphenyl)amino]ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(2-isopropoxyanilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]sulfanylacetic acid Traditional Name: 2-[[2-(2-isopropoxyanilino)-2-keto-ethyl]thio]acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1NC(=O)CSCC(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1NC(=O)CSCC(=O)O

InChI

InChI=1S/C13H17NO4S/c1-9(2)18-11-6-4-3-5-10(11)14-12(15)7-19-8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)