bicyclo[2.2.0]hexa-1(4),2,5-triene; [2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]sulfanyl-1-(1-methoxy-3-methyl-1-oxidanylidene-but-3-en-2-yl)azetidin-3-yl]-ethanoyl-oxidanylidene-azanium

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; [2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]sulfanyl-1-(1-methoxy-3-methyl-1-oxidanylidene-but-3-en-2-yl)azetidin-3-yl]-ethanoyl-oxidanylidene-azanium Openeye Name: acetyl-[2-(2,5-dioxopyrrolidin-1-yl)sulfanyl-1-(1-methoxycarbonyl-2-methyl-allyl)azetidin-3-yl]-oxo-ammonium; bicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: acetyl-[2-[(2,5-dioxo-1-pyrrolidinyl)thio]-1-(1-methoxy-3-methyl-1-oxobut-3-en-2-yl)-3-azetidinyl]-oxoammonium; bicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: acetyl-[2-(2,5-dioxopyrrolidin-1-yl)sulfanyl-1-(1-methoxy-3-methyl-1-oxobut-3-en-2-yl)azetidin-3-yl]-oxoazanium; bicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: acetyl-[1-(1-carbomethoxy-2-methyl-allyl)-2-(succinimidothio)azetidin-3-yl]-keto-ammonium; bicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C21H24N3O6S+ MolecularWeight: 446.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC)N1CC(C1SN2C(=O)CCC2=O)[N+](=O)C(=O)C.C1=CC2=C1C=C2

Isomeric SMILES

CC(=C)C(C(=O)OC)N1CC(C1SN2C(=O)CCC2=O)[N+](=O)C(=O)C.C1=CC2=C1C=C2

InChI

InChI=1S/C15H20N3O6S.C6H4/c1-8(2)13(15(22)24-4)16-7-10(17(23)9(3)19)14(16)25-18-11(20)5-6-12(18)21;1-2-6-4-3-5(1)6/h10,13-14H,1,5-7H2,2-4H3;1-4H/q+1;