5-[[2-(3,4-dimethylphenyl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(3,4-dimethylphenyl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)C

InChI

InChI=1S/C19H21NO4S/c1-12-4-6-15(8-13(12)2)25-11-18(21)20-10-14-5-7-17(24-3)16(9-14)19(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)