4,5-dimethoxy-2-(2-phenylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4,5-dimethoxy-2-(2-phenylsulfanylethanoylamino)benzoic acid Openeye Name: 4,5-dimethoxy-2-[(2-phenylsulfanylacetyl)amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[(2-phenylsulfanylacetyl)amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-(phenylthio)acetyl]amino]benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=CC=CC=C2)OC

InChI

InChI=1S/C17H17NO5S/c1-22-14-8-12(17(20)21)13(9-15(14)23-2)18-16(19)10-24-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)