(2-acetamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl) 3-methyl-2-[(4-nitrophenyl)methyl]but-3-enoate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: (2-acetamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl) 3-methyl-2-[(4-nitrophenyl)methyl]but-3-enoate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: (2-acetamido-2-chlorosulfinyl-4-oxo-azetidin-1-yl) 3-methyl-2-[(4-nitrophenyl)methyl]but-3-enoate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 3-methyl-2-[(4-nitrophenyl)methyl]-3-butenoic acid (2-acetamido-2-chlorosulfinyl-4-oxo-1-azetidinyl) ester; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: (2-acetamido-2-chlorosulfinyl-4-oxoazetidin-1-yl) 3-methyl-2-[(4-nitrophenyl)methyl]but-3-enoate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 3-methyl-2-(4-nitrobenzyl)but-3-enoic acid (2-acetamido-2-chlorosulfinyl-4-keto-azetidin-1-yl) ester; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C23H22ClN3O8S MolecularWeight: 535.95408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)ON2C(=O)CC2(NC(=O)C)S(=O)Cl.C1=CC2=CC(=C1)O2

Isomeric SMILES

CC(=C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)ON2C(=O)CC2(NC(=O)C)S(=O)Cl.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C17H18ClN3O7S.C6H4O/c1-10(2)14(8-12-4-6-13(7-5-12)21(25)26)16(24)28-20-15(23)9-17(20,29(18)27)19-11(3)22;1-2-5-4-6(3-1)7-5/h4-7,14H,1,8-9H2,2-3H3,(H,19,22);1-4H