7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-(phenylcarbamoyloxyimino)ethanoyl]amino]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-oxidanylidene-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]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-oxidanylidene-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]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-oxo-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]-3-(4-furo[3,2-b]pyridin-4-iumylmethyl)-8-oxo-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]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-oxo-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]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H22N7O8S+ MolecularWeight: 604.57068

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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=CC=CC6=C5C=CO6

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=CC=CC6=C5C=CO6

InChI

InChI=1S/C27H21N7O8S/c28-26-30-16(12-41-26)19(32-42-27(39)29-15-5-2-1-3-6-15)22(35)31-20-23(36)34-21(25(37)38)14(13-43-24(20)34)11-33-9-4-7-18-17(33)8-10-40-18/h1-10,12,20,24H,11,13H2,(H4-,28,29,30,31,35,37,38,39)/p+1/b32-19+