4-[2-[ethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[ethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[ethyl(methyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-[ethyl(methyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(C)C(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

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