tert-butyl 2-[2-methoxysulfinyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: tert-butyl 2-[2-methoxysulfinyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-2-methoxysulfinyl-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-methoxysulfinyl-4-oxo-3-(phenylmethoxycarbonylamino)-1-azetidinyl]-3-methyl-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-methoxysulfinyl-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-4-methoxysulfinyl-azetidin-1-yl]-3-methyl-but-3-enoic acid tert-butyl ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C)(C)C)N1C(C(C1=O)NC(=O)OCC2=CC=CC=C2)S(=O)OC

Isomeric SMILES

CC(=C)C(C(=O)OC(C)(C)C)N1C(C(C1=O)NC(=O)OCC2=CC=CC=C2)S(=O)OC

InChI

InChI=1S/C21H28N2O7S/c1-13(2)16(19(25)30-21(3,4)5)23-17(24)15(18(23)31(27)28-6)22-20(26)29-12-14-10-8-7-9-11-14/h7-11,15-16,18H,1,12H2,2-6H3,(H,22,26)