4-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl)-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl)-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-(3-methoxy-2-methoxycarbonyl-3-oxo-propyl)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-(2-carbomethoxy-3-keto-3-methoxy-propyl)-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H24N2O9S MolecularWeight: 492.49896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1CC(C(=O)OC)C(=O)OC)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1CC(C(=O)OC)C(=O)OC)C(=O)O

InChI

InChI=1S/C22H24N2O9S/c1-11-14(9-13(21(29)31-2)22(30)32-3)34-19-16(18(26)24(19)17(11)20(27)28)23-15(25)10-33-12-7-5-4-6-8-12/h4-8,13-14,16,19H,9-10H2,1-3H3,(H,23,25)(H,27,28)