sodium 7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate

Systemtic Name: sodium 7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate Openeye Name: sodium 7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate CAS Name: sodium 7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate IUPAC Name: sodium 7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate Traditional Name: sodium 7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-8-keto-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate Formula: C13H17N4NaO7S2 MolecularWeight: 428.41645

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CSC(=N3)N)C(=O)[O-])CO.O.O.[Na+]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CSC(=N3)N)C(=O)[O-])CO.O.O.[Na+]

InChI

InChI=1S/C13H14N4O5S2.Na.2H2O/c14-13-15-6(4-24-13)1-7(19)16-8-10(20)17-9(12(21)22)5(2-18)3-23-11(8)17;;;/h4,8,11,18H,1-3H2,(H2,14,15)(H,16,19)(H,21,22);;2*1H2/q;+1;;/p-1