4-chloranyl-2-[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(2-methoxy-2-oxo-ethyl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-[(2-methoxy-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-(2-methoxy-2-oxoethyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-[(2-keto-2-methoxy-ethyl)thio]acetyl]amino]benzoic acid Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O

Isomeric SMILES

COC(=O)CSCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C12H12ClNO5S/c1-19-11(16)6-20-5-10(15)14-9-4-7(13)2-3-8(9)12(17)18/h2-4H,5-6H2,1H3,(H,14,15)(H,17,18)