tert-butyl 3-methyl-2-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanylidene-4-phenylsulfanylsulfinyl-azetidin-1-yl]but-3-enoate

Systemtic Name: tert-butyl 3-methyl-2-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanylidene-4-phenylsulfanylsulfinyl-azetidin-1-yl]but-3-enoate Openeye Name: tert-butyl 3-methyl-2-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxo-4-phenylsulfanylsulfinyl-azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-2-oxo-4-(phenylthio)sulfinyl-1-azetidinyl]-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-2-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxo-4-phenylsulfanylsulfinylazetidin-1-yl]but-3-enoate Traditional Name: 2-[2-keto-3-[(4-nitrobenzyl)oxycarbonylamino]-4-(phenylthio)sulfinyl-azetidin-1-yl]-3-methyl-but-3-enoic acid tert-butyl ester Formula: C26H29N3O8S2 MolecularWeight: 575.65376

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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=C(C=C2)[N+](=O)[O-])S(=O)SC3=CC=CC=C3

Isomeric SMILES

CC(=C)C(C(=O)OC(C)(C)C)N1C(C(C1=O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)SC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O8S2/c1-16(2)21(24(31)37-26(3,4)5)28-22(30)20(23(28)39(35)38-19-9-7-6-8-10-19)27-25(32)36-15-17-11-13-18(14-12-17)29(33)34/h6-14,20-21,23H,1,15H2,2-5H3,(H,27,32)