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

Systemtic Name: 4-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[1-methyl-2-oxo-2-(sec-butylamino)ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-1-methyl-2-(sec-butylamino)ethyl]thio]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-4-9(2)15-13(16)10(3)19-12-7-5-11(6-8-12)14(17)18/h5-10H,4H2,1-3H3,(H,15,16)(H,17,18)