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

Systemtic Name: 4,5-dimethoxy-2-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-(o-tolylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-[(2-methylbenzyl)thio]acetyl]amino]benzoic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

InChI

InChI=1S/C19H21NO5S/c1-12-6-4-5-7-13(12)10-26-11-18(21)20-15-9-17(25-3)16(24-2)8-14(15)19(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)