tert-butyl 8-oxidanylidene-3-(phenylmethyl)-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 8-oxidanylidene-3-(phenylmethyl)-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-benzyl-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-3-(phenylmethyl)-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-benzyl-8-keto-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C37H36N2O3S MolecularWeight: 588.75834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C37H36N2O3S/c1-36(2,3)42-35(41)32-27(24-26-16-8-4-9-17-26)25-43-34-31(33(40)39(32)34)38-37(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h4-23,31,34,38H,24-25H2,1-3H3