4-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(tert-amylamino)-2-keto-ethyl]thio]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-4-14(2,3)15-12(16)9-19-11-7-5-10(6-8-11)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18)