4-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetyl]amino]-3-methyl-benzoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)OC)OC

InChI

InChI=1S/C20H23NO5S/c1-12-8-17(25-3)18(26-4)9-15(12)10-27-11-19(22)21-16-6-5-14(20(23)24)7-13(16)2/h5-9H,10-11H2,1-4H3,(H,21,22)(H,23,24)