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

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-pyridin-2-ylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-pyridylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(carbamoyloxymethyl)-8-keto-7-methoxy-7-[[2-(2-pyridylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N4O7S2 MolecularWeight: 454.47742

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C17H18N4O7S2/c1-27-17(20-10(22)8-29-11-4-2-3-5-19-11)14(25)21-12(13(23)24)9(6-28-16(18)26)7-30-15(17)21/h2-5,15H,6-8H2,1H3,(H2,18,26)(H,20,22)(H,23,24)