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

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(2-pyridin-4-ylcarbonyloxy-2-thiophen-2-yl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[[2-(pyridine-4-carbonyloxy)-2-(2-thienyl)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(pyridin-4-yl)methoxy]-2-thiophen-2-ylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[[2-(pyridine-4-carbonyloxy)-2-thiophen-2-ylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-isonicotinoyloxy-2-(2-thienyl)acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H17N3O6S2 MolecularWeight: 459.49548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CS3)OC(=O)C4=CC=NC=C4)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CS3)OC(=O)C4=CC=NC=C4)SC1)C(=O)O

InChI

InChI=1S/C20H17N3O6S2/c1-10-9-31-18-13(17(25)23(18)14(10)19(26)27)22-16(24)15(12-3-2-8-30-12)29-20(28)11-4-6-21-7-5-11/h2-8,13,15,18H,9H2,1H3,(H,22,24)(H,26,27)