2-[1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(isopropylamino)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-(isopropylamino)-2-keto-ethyl]benzimidazol-2-yl]thio]acetic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-9(2)15-12(18)7-17-11-6-4-3-5-10(11)16-14(17)21-8-13(19)20/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,19,20)