2,2,2-tris(chloranyl)ethyl 7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: 2,2,2-trichloroethyl 7-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 7-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-keto-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C26H33Cl3N2O5S MolecularWeight: 591.97462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2C(C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)(NC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)OC

Isomeric SMILES

CC1=CSC2C(C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)(NC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)OC

InChI

InChI=1S/C26H33Cl3N2O5S/c1-14-12-37-22-26(35-8,21(34)31(22)18(14)20(33)36-13-25(27,28)29)30-11-15-9-16(23(2,3)4)19(32)17(10-15)24(5,6)7/h9-12,18,22,30H,13H2,1-8H3