4-chloranyl-3-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(2-ethoxy-2-oxo-ethyl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[(2-ethoxy-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[(2-ethoxy-2-keto-ethyl)thio]acetyl]amino]benzoic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5S/c1-2-20-12(17)7-21-6-11(16)15-10-5-8(13(18)19)3-4-9(10)14/h3-5H,2,6-7H2,1H3,(H,15,16)(H,18,19)