[(1-aminocarbonyl-2-oxidanylidene-azetidin-3-yl)-(3-azanyl-2-oxidanylidene-imidazolidin-1-yl)sulfonyl-carbamoyl] 3,4-diacetyloxybenzoate

Systemtic Name: [(1-aminocarbonyl-2-oxidanylidene-azetidin-3-yl)-(3-azanyl-2-oxidanylidene-imidazolidin-1-yl)sulfonyl-carbamoyl] 3,4-diacetyloxybenzoate Openeye Name: [(3-amino-2-oxo-imidazolidin-1-yl)sulfonyl-(1-carbamoyl-2-oxo-azetidin-3-yl)carbamoyl] 3,4-diacetoxybenzoate CAS Name: 3,4-diacetyloxybenzoic acid [[(3-amino-2-oxo-1-imidazolidinyl)sulfonyl-(1-carbamoyl-2-oxo-3-azetidinyl)amino]-oxomethyl] ester IUPAC Name: [(3-amino-2-oxoimidazolidin-1-yl)sulfonyl-(1-carbamoyl-2-oxoazetidin-3-yl)carbamoyl] 3,4-diacetyloxybenzoate Traditional Name: 3,4-diacetoxybenzoic acid [(3-amino-2-keto-imidazolidin-1-yl)sulfonyl-(1-carbamoyl-2-keto-azetidin-3-yl)carbamoyl] ester Formula: C19H20N6O12S MolecularWeight: 556.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)OC(=O)N(C2CN(C2=O)C(=O)N)S(=O)(=O)N3CCN(C3=O)N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)OC(=O)N(C2CN(C2=O)C(=O)N)S(=O)(=O)N3CCN(C3=O)N)OC(=O)C

InChI

InChI=1S/C19H20N6O12S/c1-9(26)35-13-4-3-11(7-14(13)36-10(2)27)16(29)37-19(32)25(12-8-22(15(12)28)17(20)30)38(33,34)24-6-5-23(21)18(24)31/h3-4,7,12H,5-6,8,21H2,1-2H3,(H2,20,30)