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

Systemtic Name: methyl 3-[2-oxidanylidene-6-(pyridin-4-ylmethoxy)-4-thiophen-3-ylcarbonyl-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-6-(4-pyridylmethoxy)-4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[oxo(3-thiophenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-6-(pyridin-4-ylmethoxy)-4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-(4-pyridylmethoxy)-4-(3-thenoyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-27-19(25)4-8-22-10-17(28-13-15-2-6-21-7-3-15)11-23(12-18(22)24)20(26)16-5-9-29-14-16/h2-3,5-7,9,14,17H,4,8,10-13H2,1H3