methyl 3-(3,4-dimethoxyphenyl)-3-[2-(diphenylmethyl)sulfanylethanoylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[2-(diphenylmethyl)sulfanylethanoylamino]propanoate Openeye Name: methyl 3-[(2-benzhydrylsulfanylacetyl)amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-benzhydrylsulfanylacetyl)amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[[2-(benzhydrylthio)acetyl]amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO5S/c1-31-23-15-14-21(16-24(23)32-2)22(17-26(30)33-3)28-25(29)18-34-27(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,22,27H,17-18H2,1-3H3,(H,28,29)