1-(4-methylphenyl)sulfonylethyl 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-2-ene-2-carboxylate

Systemtic Name: 1-(4-methylphenyl)sulfonylethyl 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-2-ene-2-carboxylate Openeye Name: 1-(p-tolylsulfonyl)ethyl 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-2-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-2-ene-2-carboxylic acid 1-(4-methylphenyl)sulfonylethyl ester IUPAC Name: 1-(4-methylphenyl)sulfonylethyl 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-2-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-2-ene-2-carboxylic acid 1-tosylethyl ester Formula: C33H42N2O7S2 MolecularWeight: 642.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)OC)SC1)C(=O)OC(C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)OC)SC1)C(=O)OC(C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H42N2O7S2/c1-19-11-13-23(14-12-19)44(39,40)21(3)42-28(37)26-20(2)18-43-30-33(41-10,29(38)35(26)30)34-17-22-15-24(31(4,5)6)27(36)25(16-22)32(7,8)9/h11-17,21,30,34H,18H2,1-10H3