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

Systemtic Name: 7-methoxy-3-methoxycarbonyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-3-methoxycarbonyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-3-methoxycarbonyl-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-methoxy-3-methoxycarbonyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-carbomethoxy-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O7S2 MolecularWeight: 412.43744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)OC)SC1)C(=O)O

Isomeric SMILES

COC(=O)C1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)OC)SC1)C(=O)O

InChI

InChI=1S/C16H16N2O7S2/c1-24-13(22)9-7-27-15-16(25-2,14(23)18(15)11(9)12(20)21)17-10(19)6-8-4-3-5-26-8/h3-5,15H,6-7H2,1-2H3,(H,17,19)(H,20,21)