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

Systemtic Name: 3-(dimethoxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(dimethoxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(dimethoxymethyl)-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: 3-(dimethoxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(dimethoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S2/c1-23-16(24-2)9-7-26-14-11(13(20)18(14)12(9)15(21)22)17-10(19)6-8-4-3-5-25-8/h3-5,11,14,16H,6-7H2,1-2H3,(H,17,19)(H,21,22)