methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(phenylsulfanylmethyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(phenylsulfanylmethyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[oxo-[4-[(phenylthio)methyl]phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[[4-[(phenylthio)methyl]benzoyl]amino]propionic acid methyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3)OC

InChI

InChI=1S/C26H27NO5S/c1-30-23-14-13-20(15-24(23)31-2)22(16-25(28)32-3)27-26(29)19-11-9-18(10-12-19)17-33-21-7-5-4-6-8-21/h4-15,22H,16-17H2,1-3H3,(H,27,29)