2,2-dimethylpropanoyloxymethyl 7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(1H-benzimidazol-2-ylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3)SC1)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3)SC1)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C21H24N4O5S/c1-11-9-31-17-14(24-20-22-12-7-5-6-8-13(12)23-20)16(26)25(17)15(11)18(27)29-10-30-19(28)21(2,3)4/h5-8,14,17H,9-10H2,1-4H3,(H2,22,23,24)