methyl 3-[2-oxidanylidene-4-(2-phenylsulfanylethanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[2-oxidanylidene-4-(2-phenylsulfanylethanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-4-(2-phenylsulfanylacetyl)-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[1-oxo-2-(phenylthio)ethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-4-(2-phenylsulfanylacetyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-4-[2-(phenylthio)acetyl]-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)CSC2=CC=CC=C2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)CSC2=CC=CC=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C23H27N3O5S/c1-30-23(29)9-12-25-13-19(31-16-18-7-10-24-11-8-18)14-26(15-21(25)27)22(28)17-32-20-5-3-2-4-6-20/h2-8,10-11,19H,9,12-17H2,1H3