3-pyridin-3-ylpropyl 1-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)azetidine-2-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 1-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)azetidine-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl 1-[2-oxo-2-(2-thienyl)acetyl]azetidine-2-carboxylate CAS Name: 1-(1,2-dioxo-2-thiophen-2-ylethyl)-2-azetidinecarboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate Traditional Name: 1-[2-keto-2-(2-thienyl)acetyl]azetidine-2-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C(=O)OCCCC2=CN=CC=C2)C(=O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(C1C(=O)OCCCC2=CN=CC=C2)C(=O)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O4S/c21-16(15-6-3-11-25-15)17(22)20-9-7-14(20)18(23)24-10-2-5-13-4-1-8-19-12-13/h1,3-4,6,8,11-12,14H,2,5,7,9-10H2