7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-(phenylcarbamoyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-(phenylcarbamoyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-(phenylcarbamoyloxyimino)acetyl]amino]-8-oxo-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-oxazolyl)-2-[anilino(oxo)methoxy]imino-1-oxoethyl]amino]-8-oxo-3-(5-thieno[3,2-c]pyridin-5-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-oxazol-4-yl)-2-(phenylcarbamoyloxyimino)acetyl]amino]-8-oxo-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-(phenylcarbamoyloximino)acetyl]amino]-8-keto-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H22N7O7S2+ MolecularWeight: 620.63628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC(=O)NC3=CC=CC=C3)C4=COC(=N4)N)C(=O)O)C[N+]5=CC6=C(C=C5)SC=C6

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC(=O)NC3=CC=CC=C3)/C4=COC(=N4)N)C(=O)O)C[N+]5=CC6=C(C=C5)SC=C6

InChI

InChI=1S/C27H21N7O7S2/c28-26-30-17(12-40-26)19(32-41-27(39)29-16-4-2-1-3-5-16)22(35)31-20-23(36)34-21(25(37)38)15(13-43-24(20)34)11-33-8-6-18-14(10-33)7-9-42-18/h1-10,12,20,24H,11,13H2,(H4-,28,29,30,31,35,37,38,39)/p+1/b32-19+