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

Systemtic Name: sodium 3-(1-aminocarbonyloxyethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(1-carbamoyloxyethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(1-carbamoyloxyethyl)-7-methoxy-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-(1-carbamoyloxyethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(1-carbamoyloxyethyl)-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H18N3NaO7S2 MolecularWeight: 463.46049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)OC)SC1)C(=O)[O-])OC(=O)N.[Na+]

Isomeric SMILES

CC(C1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)OC)SC1)C(=O)[O-])OC(=O)N.[Na+]

InChI

InChI=1S/C17H19N3O7S2.Na/c1-8(27-16(18)25)10-7-29-15-17(26-2,14(24)20(15)12(10)13(22)23)19-11(21)6-9-4-3-5-28-9;/h3-5,8,15H,6-7H2,1-2H3,(H2,18,25)(H,19,21)(H,22,23);/q;+1/p-1