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

Systemtic Name: 4,5-dimethoxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]-4,5-dimethoxy-benzoic acid CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H19NO5S/c1-23-15-8-13(18(21)22)14(9-16(15)24-2)19-17(20)11-25-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)