2-[2-(carboxymethylsulfanyl)ethanoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-(carboxymethylsulfanyl)ethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-(carboxymethylsulfanyl)acetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-(carboxymethylthio)-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-(carboxymethylsulfanyl)acetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-(carboxymethylthio)acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C13H15NO7S MolecularWeight: 329.3257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC(=O)O)OC

InChI

InChI=1S/C13H15NO7S/c1-20-9-3-7(13(18)19)8(4-10(9)21-2)14-11(15)5-22-6-12(16)17/h3-4H,5-6H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)