sodium 3-(acetyloxymethyl)-7-ethoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(acetyloxymethyl)-7-ethoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-ethoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-7-ethoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-7-ethoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-7-ethoxy-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H19N2NaO7S2 MolecularWeight: 462.47243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-])NC(=O)CC3=CC=CS3.[Na+]

Isomeric SMILES

CCOC1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-])NC(=O)CC3=CC=CS3.[Na+]

InChI

InChI=1S/C18H20N2O7S2.Na/c1-3-27-18(19-13(22)7-12-5-4-6-28-12)16(25)20-14(15(23)24)11(8-26-10(2)21)9-29-17(18)20;/h4-6,17H,3,7-9H2,1-2H3,(H,19,22)(H,23,24);/q;+1/p-1