3-methyl-8-oxidanylidene-7-[(2-phenyl-2-pyridin-3-ylcarbonyloxy-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(2-phenyl-2-pyridin-3-ylcarbonyloxy-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[[2-phenyl-2-(pyridine-3-carbonyloxy)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-[oxo(3-pyridinyl)methoxy]-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[[2-phenyl-2-(pyridine-3-carbonyloxy)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[(2-nicotinoyloxy-2-phenyl-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CN=CC=C4)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CN=CC=C4)SC1)C(=O)O

InChI

InChI=1S/C22H19N3O6S/c1-12-11-32-20-15(19(27)25(20)16(12)21(28)29)24-18(26)17(13-6-3-2-4-7-13)31-22(30)14-8-5-9-23-10-14/h2-10,15,17,20H,11H2,1H3,(H,24,26)(H,28,29)