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

Systemtic Name: 2-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(2-isopropylanilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetic acid Traditional Name: 2-[[2-(2-isopropylanilino)-2-keto-ethyl]thio]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSCC(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-9(2)10-5-3-4-6-11(10)14-12(15)7-18-8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)