7-[ethanoyl(pyridin-4-ylsulfanyl)amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[ethanoyl(pyridin-4-ylsulfanyl)amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[acetyl(4-pyridylsulfanyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[acetyl-(pyridin-4-ylthio)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[acetyl(pyridin-4-ylsulfanyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[acetyl-(4-pyridylthio)amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C2N(C1=O)C(=C(CS2)OC)C(=O)O)SC3=CC=NC=C3

Isomeric SMILES

CC(=O)N(C1C2N(C1=O)C(=C(CS2)OC)C(=O)O)SC3=CC=NC=C3

InChI

InChI=1S/C15H15N3O5S2/c1-8(19)18(25-9-3-5-16-6-4-9)12-13(20)17-11(15(21)22)10(23-2)7-24-14(12)17/h3-6,12,14H,7H2,1-2H3,(H,21,22)