2-azanyl-2-(azetidin-1-ylcarbothioyl)-3-oxidanyl-3-(phenylcarbonyloxy)propanoic acid

Systemtic Name: 2-azanyl-2-(azetidin-1-ylcarbothioyl)-3-oxidanyl-3-(phenylcarbonyloxy)propanoic acid Openeye Name: 2-amino-2-(azetidine-1-carbothioyl)-3-benzoyloxy-3-hydroxy-propanoic acid CAS Name: 2-amino-2-[1-azetidinyl(sulfanylidene)methyl]-3-benzoyloxy-3-hydroxypropanoic acid IUPAC Name: 2-amino-2-(azetidine-1-carbothioyl)-3-benzoyloxy-3-hydroxypropanoic acid Traditional Name: 2-amino-2-(azetidine-1-carbothioyl)-3-benzoyloxy-3-hydroxy-propionic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=S)C(C(O)OC(=O)C2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

C1CN(C1)C(=S)C(C(O)OC(=O)C2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C14H16N2O5S/c15-14(12(18)19,11(22)16-7-4-8-16)13(20)21-10(17)9-5-2-1-3-6-9/h1-3,5-6,13,20H,4,7-8,15H2,(H,18,19)