3-(acetyloxymethyl)-6-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-6-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-6-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-6-methoxy-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-(acetyloxymethyl)-6-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-6-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)OC)NC(=O)CC3=CC=CS3)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)OC)NC(=O)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C17H18N2O7S2/c1-9(20)26-7-10-8-28-17(25-2)14(15(22)19(17)13(10)16(23)24)18-12(21)6-11-4-3-5-27-11/h3-5,14H,6-8H2,1-2H3,(H,18,21)(H,23,24)