2,2,2-tris(chloranyl)ethyl 7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-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]-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]-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]-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]-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-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C25H31Cl3N2O4S MolecularWeight: 561.94864

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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

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

InChI

InChI=1S/C25H31Cl3N2O4S/c1-13-11-35-21-17(20(32)30(21)18(13)22(33)34-12-25(26,27)28)29-10-14-8-15(23(2,3)4)19(31)16(9-14)24(5,6)7/h8-11,17-18,21,29H,12H2,1-7H3