7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-8-oxidanylidene-3-[(Z)-2-(1,2,3-thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-8-oxidanylidene-3-[(Z)-2-(1,2,3-thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-oxo-3-[(Z)-2-(thiadiazol-4-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-8-oxo-3-[(Z)-2-(4-thiadiazolyl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-3-[(Z)-2-(thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-keto-3-[(Z)-2-(thiadiazol-4-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H12N8O5S3 MolecularWeight: 480.50138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=C3NSC(=N3)N)N=O)C(=O)O)C=CC4=CSN=N4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=C\3/NSC(=N3)N)/N=O)C(=O)O)/C=C\C4=CSN=N4

InChI

InChI=1S/C15H12N8O5S3/c16-15-18-10(21-31-15)7(20-28)11(24)17-8-12(25)23-9(14(26)27)5(3-29-13(8)23)1-2-6-4-30-22-19-6/h1-2,4,8,13,21H,3H2,(H2,16,18)(H,17,24)(H,26,27)/b2-1-,10-7-