2,2-dimethylpropanoyloxymethyl 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: 2,2-dimethylpropanoyloxymethyl 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: 2,2-dimethylpropanoyloxymethyl 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 (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 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 pivaloyloxymethyl ester Formula: C29H42N2O6S MolecularWeight: 546.71858

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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)OCOC(=O)C(C)(C)C)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)OCOC(=O)C(C)(C)C)C

InChI

InChI=1S/C29H42N2O6S/c1-26(2,3)17-12-16(13-18(20(17)32)27(4,5)6)14-30-19-22(33)31-21(29(10,11)38-23(19)31)24(34)36-15-37-25(35)28(7,8)9/h12-14,19,21,23,30H,15H2,1-11H3