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

Systemtic Name: 3-(azidomethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 3-(azidomethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 3-(azidomethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 3-(azidomethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 3-(azidomethyl)-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C15H15N5O5S2 MolecularWeight: 409.4401

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(C(=CS2)CN=[N+]=[N-])C(=O)O)NC(=O)CC3=CC=CS3

Isomeric SMILES

COC1(C2N(C1=O)C(C(=CS2)CN=[N+]=[N-])C(=O)O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C15H15N5O5S2/c1-25-15(18-10(21)5-9-3-2-4-26-9)13(24)20-11(12(22)23)8(6-17-19-16)7-27-14(15)20/h2-4,7,11,14H,5-6H2,1H3,(H,18,21)(H,22,23)