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

Systemtic Name: methyl 5-[[[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]carbonylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[3-[[(2,4-dimethylphenyl)thio]methyl]benzoyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4S/c1-17-8-11-24(18(2)12-17)32-16-20-6-5-7-21(13-20)25(28)27-15-19-9-10-23(30-3)22(14-19)26(29)31-4/h5-14H,15-16H2,1-4H3,(H,27,28)