(diphenylmethyl) 3-(acetyloxymethyl)-7-[[(E)-(3-tert-butyl-4-oxidanylidene-naphthalen-1-ylidene)methyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-(acetyloxymethyl)-7-[[(E)-(3-tert-butyl-4-oxidanylidene-naphthalen-1-ylidene)methyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-(acetoxymethyl)-7-[[(E)-(3-tert-butyl-4-oxo-1-naphthylidene)methyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[[(E)-(3-tert-butyl-4-oxo-1-naphthalenylidene)methyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(acetyloxymethyl)-7-[[(E)-(3-tert-butyl-4-oxonaphthalen-1-ylidene)methyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[[(E)-(3-tert-butyl-4-keto-1-naphthylidene)methyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C38H36N2O6S MolecularWeight: 648.76724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC=C3C=C(C(=O)C4=CC=CC=C43)C(C)(C)C)SC1)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)N/C=C/3\C=C(C(=O)C4=CC=CC=C43)C(C)(C)C)SC1)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H36N2O6S/c1-23(41)45-21-27-22-47-36-31(39-20-26-19-30(38(2,3)4)33(42)29-18-12-11-17-28(26)29)35(43)40(36)32(27)37(44)46-34(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-20,31,34,36,39H,21-22H2,1-4H3/b26-20+