3-[ethanoylsulfanyl-[[2-[(6-methyl-4-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]methyl]-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[ethanoylsulfanyl-[[2-[(6-methyl-4-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]methyl]-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[acetylsulfanyl-[[2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenyl-acetyl]amino]methyl]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(acetylthio)-[[2-[[(6-methyl-4-oxo-1H-pyridin-3-yl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]methyl]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[acetylsulfanyl-[[2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetyl]amino]methyl]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(acetylthio)-[[2-[(4-keto-6-methyl-1H-pyridine-3-carbonyl)amino]-2-phenyl-acetyl]amino]methyl]-8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H26N4O7S2 MolecularWeight: 570.63724

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(=C(CS2)C(NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CNC(=CC4=O)C)SC(=O)C)C(=O)O

Isomeric SMILES

CC1C2N(C1=O)C(=C(CS2)C(NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CNC(=CC4=O)C)SC(=O)C)C(=O)O

InChI

InChI=1S/C26H26N4O7S2/c1-12-9-18(32)16(10-27-12)21(33)28-19(15-7-5-4-6-8-15)22(34)29-23(39-14(3)31)17-11-38-25-13(2)24(35)30(25)20(17)26(36)37/h4-10,13,19,23,25H,11H2,1-3H3,(H,27,32)(H,28,33)(H,29,34)(H,36,37)