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

Systemtic Name: [2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-(3-pyridin-2-yl-3-sulfanylidene-propyl)azetidin-1-yl] 3,3-dimethylbutanoate Openeye Name: [3-(benzyloxycarbonylamino)-2-oxo-4-[3-(2-pyridyl)-3-thioxo-propyl]azetidin-1-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic 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] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [3-(benzyloxycarbonylamino)-2-keto-4-[3-(2-pyridyl)-3-thioxo-propyl]azetidin-1-yl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c1-25(2,3)15-21(29)33-28-19(12-13-20(34)18-11-7-8-14-26-18)22(23(28)30)27-24(31)32-16-17-9-5-4-6-10-17/h4-11,14,19,22H,12-13,15-16H2,1-3H3,(H,27,31)