5-[[[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[3-[[(2,4-dimethylphenyl)thio]methyl]benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O)C

InChI

InChI=1S/C25H25NO4S/c1-16-7-10-23(17(2)11-16)31-15-19-5-4-6-20(12-19)24(27)26-14-18-8-9-22(30-3)21(13-18)25(28)29/h4-13H,14-15H2,1-3H3,(H,26,27)(H,28,29)