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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]benzoic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H19NO5S/c1-11(25-14-8-9-15(23-2)16(10-14)24-3)17(20)19-13-6-4-12(5-7-13)18(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22)