3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]thio]methyl]benzoate IUPAC Name: 3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-[bis(4-methoxyphenyl)methylamino]-2-keto-ethyl]thio]methyl]benzoate Formula: C25H24NO5S- MolecularWeight: 450.52676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)CSCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)CSCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C25H25NO5S/c1-30-21-10-6-18(7-11-21)24(19-8-12-22(31-2)13-9-19)26-23(27)16-32-15-17-4-3-5-20(14-17)25(28)29/h3-14,24H,15-16H2,1-2H3,(H,26,27)(H,28,29)/p-1