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

Systemtic Name: 4-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(ethylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(ethylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-3-13-11(14)8(2)17-10-6-4-9(5-7-10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)