2-[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(tert-butylamino)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(tert-butylamino)-2-oxoethyl]-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-(tert-butylamino)-2-keto-ethyl]benzimidazol-2-yl]thio]acetic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-15(2,3)17-12(19)8-18-11-7-5-4-6-10(11)16-14(18)22-9-13(20)21/h4-7H,8-9H2,1-3H3,(H,17,19)(H,20,21)