4-[1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(1-ethylpropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(1-ethylpropylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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