methyl 3-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)CSCCC(=O)OC

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C22H27NO5S/c1-23(21(24)16-29-12-11-22(25)27-3)14-18-9-10-19(20(13-18)26-2)28-15-17-7-5-4-6-8-17/h4-10,13H,11-12,14-16H2,1-3H3