3-(1-methoxycarbonylcyclopropyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-methoxycarbonylcyclopropyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(1-methoxycarbonylcyclopropyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(1-methoxycarbonylcyclopropyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(1-methoxycarbonylcyclopropyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(1-carbomethoxycyclopropyl)-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1)C2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

COC(=O)C1(CC1)C2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C20H20N2O7S/c1-28-19(27)20(7-8-20)12-10-30-17-14(16(24)22(17)15(12)18(25)26)21-13(23)9-29-11-5-3-2-4-6-11/h2-6,14,17H,7-10H2,1H3,(H,21,23)(H,25,26)