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

Systemtic Name: (diphenylmethyl) 3-methyl-8-oxidanylidene-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-methyl-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-8-oxo-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-methyl-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methyl-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C40H34N2O3S MolecularWeight: 622.77456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC1)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC1)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H34N2O3S/c1-28-27-46-38-34(41-40(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33)37(43)42(38)35(28)39(44)45-36(29-17-7-2-8-18-29)30-19-9-3-10-20-30/h2-26,34,36,38,41H,27H2,1H3