2,2-dimethylpropanoyloxymethyl 8-oxidanylidene-7-(2-phenylethanoylamino)-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 8-oxidanylidene-7-(2-phenylethanoylamino)-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 8-oxo-7-[(2-phenylacetyl)amino]-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(prop-2-ynylthio)-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 8-oxo-7-[(2-phenylacetyl)amino]-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-(propargylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C24H26N2O6S2 MolecularWeight: 502.60304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)SCC#C

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)SCC#C

InChI

InChI=1S/C24H26N2O6S2/c1-5-11-33-16-13-34-21-18(25-17(27)12-15-9-7-6-8-10-15)20(28)26(21)19(16)22(29)31-14-32-23(30)24(2,3)4/h1,6-10,18,21H,11-14H2,2-4H3,(H,25,27)