calcium 5-thiophen-2-ylcarbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: calcium 5-thiophen-2-ylcarbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: calcium 5-(thiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: calcium 5-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylate IUPAC Name: calcium 5-(thiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: calcium 5-(2-thenoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Formula: C26H20CaN2O6S2 MolecularWeight: 560.6548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=CC=C2C(=O)C3=CC=CS3)C1C(=O)[O-].C1CN2C(=CC=C2C(=O)C3=CC=CS3)C1C(=O)[O-].[Ca+2]

Isomeric SMILES

C1CN2C(=CC=C2C(=O)C3=CC=CS3)C1C(=O)[O-].C1CN2C(=CC=C2C(=O)C3=CC=CS3)C1C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C13H11NO3S.Ca/c2*15-12(11-2-1-7-18-11)10-4-3-9-8(13(16)17)5-6-14(9)10;/h2*1-4,7-8H,5-6H2,(H,16,17);/q;;+2/p-2