1-azidoethoxycarbonyloxymethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-azidoethoxycarbonyloxymethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-azidoethoxycarbonyloxymethyl 3-(acetoxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [1-azidoethoxy(oxo)methoxy]methyl ester IUPAC Name: 1-azidoethoxycarbonyloxymethyl 3-(acetyloxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-azidoethoxycarbonyloxymethyl ester Formula: C22H23N5O9S MolecularWeight: 533.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC(N=[N+]=[N-])OC(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)COC(=O)C

Isomeric SMILES

CC(N=[N+]=[N-])OC(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)COC(=O)C

InChI

InChI=1S/C22H23N5O9S/c1-12(25-26-23)36-22(32)35-11-34-21(31)18-15(9-33-13(2)28)10-37-20-17(19(30)27(18)20)24-16(29)8-14-6-4-3-5-7-14/h3-7,12,17,20H,8-11H2,1-2H3,(H,24,29)