7-(3-methoxycarbonylphenyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(3-methoxycarbonylphenyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(3-methoxycarbonylphenyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(3-methoxycarbonylphenyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(3-methoxycarbonylphenyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(3-carbomethoxyphenyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C2(C3N(C2=O)C(=CCS3)C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C2(C3N(C2=O)C(=CCS3)C(=O)O)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C21H18N2O6S2/c1-29-18(27)12-4-2-5-13(10-12)21(22-16(24)11-14-6-3-8-30-14)19(28)23-15(17(25)26)7-9-31-20(21)23/h2-8,10,20H,9,11H2,1H3,(H,22,24)(H,25,26)