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

Systemtic Name: methyl 3-[2-oxidanylidene-6-(pyridin-4-ylmethoxy)-4-(2-thiophen-3-ylethanoyl)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-6-(4-pyridylmethoxy)-4-[2-(3-thienyl)acetyl]-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[1-oxo-2-(3-thiophenyl)ethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-6-(pyridin-4-ylmethoxy)-4-(2-thiophen-3-ylacetyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-(4-pyridylmethoxy)-4-[2-(3-thienyl)acetyl]-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)CC2=CSC=C2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)CC2=CSC=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C21H25N3O5S/c1-28-21(27)4-8-23-11-18(29-14-16-2-6-22-7-3-16)12-24(13-20(23)26)19(25)10-17-5-9-30-15-17/h2-3,5-7,9,15,18H,4,8,10-14H2,1H3