4-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(isopropylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C(C)SC1=CC=C(C=C1)C(=O)O

InChI

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