4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(tert-butylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(tert-butylamino)-2-keto-ethyl]thio]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-13(2,3)14-11(15)8-18-10-6-4-9(5-7-10)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)