(diphenylmethyl) 7-[(3-butoxyphenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[(3-butoxyphenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[(3-butoxybenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(3-butoxyphenyl)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[(3-butoxybenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(3-butoxybenzoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H30N2O5S MolecularWeight: 542.6453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O5S/c1-2-3-18-37-24-16-10-15-23(20-24)28(34)32-26-29(35)33-25(17-19-39-30(26)33)31(36)38-27(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-17,20,26-27,30H,2-3,18-19H2,1H3,(H,32,34)