[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-(3-pyridin-2-yl-3-sulfanylidene-propyl)azetidin-1-yl] ethanoate

Systemtic Name: [2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-(3-pyridin-2-yl-3-sulfanylidene-propyl)azetidin-1-yl] ethanoate Openeye Name: [3-(benzyloxycarbonylamino)-2-oxo-4-[3-(2-pyridyl)-3-thioxo-propyl]azetidin-1-yl] acetate CAS Name: acetic acid [2-oxo-3-(phenylmethoxycarbonylamino)-4-[3-(2-pyridinyl)-3-sulfanylidenepropyl]-1-azetidinyl] ester IUPAC Name: [2-oxo-3-(phenylmethoxycarbonylamino)-4-(3-pyridin-2-yl-3-sulfanylidenepropyl)azetidin-1-yl] acetate Traditional Name: acetic acid [3-(benzyloxycarbonylamino)-2-keto-4-[3-(2-pyridyl)-3-thioxo-propyl]azetidin-1-yl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C(C(C1=O)NC(=O)OCC2=CC=CC=C2)CCC(=S)C3=CC=CC=N3

Isomeric SMILES

CC(=O)ON1C(C(C1=O)NC(=O)OCC2=CC=CC=C2)CCC(=S)C3=CC=CC=N3

InChI

InChI=1S/C21H21N3O5S/c1-14(25)29-24-17(10-11-18(30)16-9-5-6-12-22-16)19(20(24)26)23-21(27)28-13-15-7-3-2-4-8-15/h2-9,12,17,19H,10-11,13H2,1H3,(H,23,27)