7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloximino-acetyl]amino]-8-keto-3-methylsulfonyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C37H35N5O10S3 MolecularWeight: 805.8963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=NOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=N/OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NC5C6N(C5=O)C(=C(CS6)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C37H35N5O10S3/c1-36(2,3)50-35(47)40-34-38-25(20-54-34)27(30(43)39-28-31(44)42-29(33(45)46)26(21-53-32(28)42)51-55(4,48)49)41-52-37(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20,28,32H,21H2,1-4H3,(H,39,43)(H,45,46)(H,38,40,47)/b41-27-