3-(hydroxymethyl)-8-oxidanylidene-7-[[(2Z)-2-(pyridin-2-ylmethoxyimino)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-8-oxidanylidene-7-[[(2Z)-2-(pyridin-2-ylmethoxyimino)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-8-oxo-7-[[(2Z)-2-(2-pyridylmethoxyimino)-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-8-oxo-7-[[(2Z)-1-oxo-2-(2-pyridinylmethoxyimino)-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(hydroxymethyl)-8-oxo-7-[[(2Z)-2-(pyridin-2-ylmethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methylol-7-[[(2Z)-2-(2-pyridylmethyloximino)-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C38H32N6O6S2 MolecularWeight: 732.82728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C(S1)CO)C(=O)O)NC(=O)C(=NOCC3=CC=CC=N3)C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2C(C(=O)N2C(=C(S1)CO)C(=O)O)NC(=O)/C(=N\OCC3=CC=CC=N3)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C38H32N6O6S2/c45-20-30-33(36(48)49)44-29(23-51-30)32(35(44)47)41-34(46)31(43-50-21-27-18-10-11-19-39-27)28-22-52-37(40-28)42-38(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,22,29,32,45H,20-21,23H2,(H,40,42)(H,41,46)(H,48,49)/b43-31-