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

Systemtic Name: 4-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(tert-butylcarbamoylamino)-2-keto-ethyl]thio]benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-14(2,3)16-13(20)15-11(17)8-21-10-6-4-9(5-7-10)12(18)19/h4-7H,8H2,1-3H3,(H,18,19)(H2,15,16,17,20)