5-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-13-7-18(27-3)19(28-4)9-15(13)11-29-12-20(23)22-10-14-5-6-17(26-2)16(8-14)21(24)25/h5-9H,10-12H2,1-4H3,(H,22,23)(H,24,25)