bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl 2-[2-acetamido-4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]sulfanyl-1-oxidanidyl-azetidin-1-ium-1-yl]-3-methyl-but-3-enoate

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl 2-[2-acetamido-4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]sulfanyl-1-oxidanidyl-azetidin-1-ium-1-yl]-3-methyl-but-3-enoate Openeye Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl 2-[2-acetamido-4-(2,5-dioxopyrrolidin-1-yl)sulfanyl-1-oxido-azetidin-1-ium-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-acetamido-4-[(2,5-dioxo-1-pyrrolidinyl)thio]-1-oxido-1-azetidin-1-iumyl]-3-methyl-3-butenoic acid methyl ester; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl 2-[2-acetamido-4-(2,5-dioxopyrrolidin-1-yl)sulfanyl-1-oxidoazetidin-1-ium-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-acetamido-1-oxido-4-(succinimidothio)azetidin-1-ium-1-yl]-3-methyl-but-3-enoic acid methyl ester; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC)[N+]1(C(CC1SN2C(=O)CCC2=O)NC(=O)C)[O-].C1=CC2=CC2=C1

Isomeric SMILES

CC(=C)C(C(=O)OC)[N+]1(C(CC1SN2C(=O)CCC2=O)NC(=O)C)[O-].C1=CC2=CC2=C1

InChI

InChI=1S/C15H21N3O6S.C6H4/c1-8(2)14(15(22)24-4)18(23)10(16-9(3)19)7-13(18)25-17-11(20)5-6-12(17)21;1-2-5-4-6(5)3-1/h10,13-14H,1,5-7H2,2-4H3,(H,16,19);1-4H