4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3,4-dimethoxyphenyl)thio]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)SCC(=O)NC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)OC

InChI

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