(diphenylmethyl) 6-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) 6-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl 6-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 6-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C36H42N2O4S MolecularWeight: 598.79468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C36H42N2O4S/c1-34(2,3)25-19-22(20-26(28(25)39)35(4,5)6)21-37-27-31(40)38-30(36(7,8)43-32(27)38)33(41)42-29(23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-21,27,29-30,32,37H,1-8H3