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

Systemtic Name: 4-[1-oxidanylidene-1-(pentylamino)propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[1-methyl-2-oxo-2-(pentylamino)ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-oxo-1-(pentylamino)propan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-oxo-1-(pentylamino)propan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(amylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-3-4-5-10-16-14(17)11(2)20-13-8-6-12(7-9-13)15(18)19/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)(H,18,19)