(diphenylmethyl) 3-(acetyloxymethyl)-7-[[(E)-(3-tert-butyl-4-oxidanylidene-5,6,7,8-tetrahydronaphthalen-1-ylidene)methyl]amino]-7-methoxy-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-5,6,7,8-tetrahydronaphthalen-1-ylidene)methyl]amino]-7-methoxy-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-5,6,7,8-tetrahydronaphthalen-1-ylidene)methyl]amino]-7-methoxy-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-5,6,7,8-tetrahydronaphthalen-1-ylidene)methyl]amino]-7-methoxy-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-oxo-5,6,7,8-tetrahydronaphthalen-1-ylidene)methyl]amino]-7-methoxy-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-5,6,7,8-tetrahydronaphthalen-1-ylidene)methyl]amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C39H42N2O7S MolecularWeight: 682.82498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC=C3C=C(C(=O)C4=C3CCCC4)C(C)(C)C)OC)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=C3CCCC4)C(C)(C)C)OC)SC1)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H42N2O7S/c1-24(42)47-22-28-23-49-37-39(46-5,40-21-27-20-31(38(2,3)4)33(43)30-19-13-12-18-29(27)30)36(45)41(37)32(28)35(44)48-34(25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-11,14-17,20-21,34,37,40H,12-13,18-19,22-23H2,1-5H3/b27-21+