2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(ethylcarbamoylamino)phenyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(ethylcarbamoylamino)phenyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(ethylcarbamoylamino)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6S)-3-[4-(ethylcarbamoylamino)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(ethylcarbamoylamino)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6S)-3-[4-(ethylcarbamoylamino)phenyl]-6-[(1R)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C24H31N3O7 MolecularWeight: 473.51884

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC=C(C=C1)C2=C(N3C(C2)C(C3=O)C(C)O)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CCNC(=O)NC1=CC=C(C=C1)C2=C(N3[C@H](C2)[C@H](C3=O)[C@@H](C)O)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C24H31N3O7/c1-6-25-23(32)26-15-9-7-14(8-10-15)16-11-17-18(13(2)28)20(29)27(17)19(16)21(30)33-12-34-22(31)24(3,4)5/h7-10,13,17-18,28H,6,11-12H2,1-5H3,(H2,25,26,32)/t13-,17-,18-/m1/s1