4-methyl-8-oxidanylidene-7-[(2-phenyl-2-pyridin-4-ylcarbonyloxy-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-methyl-8-oxidanylidene-7-[(2-phenyl-2-pyridin-4-ylcarbonyloxy-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-methyl-8-oxo-7-[[2-phenyl-2-(pyridine-4-carbonyloxy)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-methyl-8-oxo-7-[[1-oxo-2-[oxo(pyridin-4-yl)methoxy]-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-methyl-8-oxo-7-[[2-phenyl-2-(pyridine-4-carbonyloxy)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-isonicotinoyloxy-2-phenyl-acetyl)amino]-8-keto-4-methyl-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:

CC1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

CC1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=NC=C4)C(=O)O

InChI

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