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

Systemtic Name: 3-ethoxycarbonyl-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-ethoxycarbonyl-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethoxycarbonyl-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-carbethoxy-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(CC1)C(C2=O)(NC(=O)CC3=CC=CS3)OC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N2C(CC1)C(C2=O)(NC(=O)CC3=CC=CS3)OC)C(=O)O

InChI

InChI=1S/C18H20N2O7S/c1-3-27-16(24)11-6-7-12-18(26-2,17(25)20(12)14(11)15(22)23)19-13(21)9-10-5-4-8-28-10/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,19,21)(H,22,23)