4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c1-17-7-6-13-11(14)8-18-10-4-2-9(3-5-10)12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)