3-methyl-8-oxidanylidene-7-[2-[2-[(2-oxidanylideneimidazolidin-1-yl)carbonylamino]phenyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-[2-[2-[(2-oxidanylideneimidazolidin-1-yl)carbonylamino]phenyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[[2-[2-[(2-oxoimidazolidine-1-carbonyl)amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[[1-oxo-2-[2-[[oxo-(2-oxo-1-imidazolidinyl)methyl]amino]phenyl]ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[[2-[2-[(2-oxoimidazolidine-1-carbonyl)amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-[2-[(2-ketoimidazolidine-1-carbonyl)amino]phenyl]acetyl]amino]-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)N4CCNC4=O)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)N4CCNC4=O)SC1)C(=O)O

InChI

InChI=1S/C20H21N5O6S/c1-10-9-32-17-14(16(27)25(17)15(10)18(28)29)23-13(26)8-11-4-2-3-5-12(11)22-20(31)24-7-6-21-19(24)30/h2-5,14,17H,6-9H2,1H3,(H,21,30)(H,22,31)(H,23,26)(H,28,29)