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

Systemtic Name: 2-[1-oxidanylidene-1-(pentan-2-ylamino)propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[1-methyl-2-(1-methylbutylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-1-methyl-2-(1-methylbutylamino)ethyl]thio]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(C)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCC(C)NC(=O)C(C)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-4-7-10(2)16-14(17)11(3)20-13-9-6-5-8-12(13)15(18)19/h5-6,8-11H,4,7H2,1-3H3,(H,16,17)(H,18,19)