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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-10(2)8-9-16-14(17)11(3)20-13-6-4-12(5-7-13)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)