[7-methoxy-8-oxidanylidene-2-phosphonato-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl pyrrolidine-1-carboxylate

Systemtic Name: [7-methoxy-8-oxidanylidene-2-phosphonato-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl pyrrolidine-1-carboxylate Openeye Name: [7-methoxy-8-oxo-2-phosphonato-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl pyrrolidine-1-carboxylate CAS Name: 1-pyrrolidinecarboxylic acid [7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester IUPAC Name: [7-methoxy-8-oxo-2-phosphonato-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl pyrrolidine-1-carboxylate Traditional Name: pyrrolidine-1-carboxylic acid [8-keto-7-methoxy-2-phosphonato-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester Formula: C19H22N3O8PS2-2 MolecularWeight: 515.497041

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N3CCCC3)P(=O)([O-])[O-])NC(=O)CC4=CC=CS4

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N3CCCC3)P(=O)([O-])[O-])NC(=O)CC4=CC=CS4

InChI

InChI=1S/C19H24N3O8PS2/c1-29-19(20-14(23)9-13-5-4-8-32-13)16(24)22-15(31(26,27)28)12(11-33-17(19)22)10-30-18(25)21-6-2-3-7-21/h4-5,8,17H,2-3,6-7,9-11H2,1H3,(H,20,23)(H2,26,27,28)/p-2