3-[[5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizin-1-yl]carbothioyloxy]propanoic acid

Systemtic Name: 3-[[5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizin-1-yl]carbothioyloxy]propanoic acid Openeye Name: 3-(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbothioyl)oxypropanoic acid CAS Name: 3-[(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-sulfanylidenemethoxy]propanoic acid IUPAC Name: 3-(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbothioyl)oxypropanoic acid Traditional Name: 3-(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbothioyl)oxypropionic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=S)OCCC(=O)O

Isomeric SMILES

C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=S)OCCC(=O)O

InChI

InChI=1S/C18H17NO4S/c20-16(21)9-11-23-18(24)13-8-10-19-14(13)6-7-15(19)17(22)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,20,21)