7-azanyl-7-formamido-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; triethylazanium

Systemtic Name: 7-azanyl-7-formamido-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; triethylazanium Openeye Name: 7-amino-7-formamido-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; triethylammonium CAS Name: 7-amino-7-formamido-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; triethylammonium IUPAC Name: 7-amino-7-formamido-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; triethylazanium Traditional Name: 7-amino-7-formamido-8-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; triethylammonium Formula: C17H26N6O4S3 MolecularWeight: 474.62114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.C1C(=C(N2C(S1)C(C2=O)(N)NC=O)C(=O)[O-])CSC3=NN=CS3

Isomeric SMILES

CC[NH+](CC)CC.C1C(=C(N2C(S1)C(C2=O)(N)NC=O)C(=O)[O-])CSC3=NN=CS3

InChI

InChI=1S/C11H11N5O4S3.C6H15N/c12-11(13-3-17)8(20)16-6(7(18)19)5(1-21-9(11)16)2-22-10-15-14-4-23-10;1-4-7(5-2)6-3/h3-4,9H,1-2,12H2,(H,13,17)(H,18,19);4-6H2,1-3H3