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

Systemtic Name: 3-methyl-8-oxidanylidene-7-(2-pyridin-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[[2-(3-pyridyl)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-(3-pyridinyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[(2-pyridin-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[[2-(3-pyridyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CN=CC=C3)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CN=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C15H15N3O4S/c1-8-7-23-14-11(13(20)18(14)12(8)15(21)22)17-10(19)5-9-3-2-4-16-6-9/h2-4,6,11,14H,5,7H2,1H3,(H,17,19)(H,21,22)