3-[[5-(2-azanyl-2-azanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[5-(2-azanyl-2-azanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[5-(2-amino-2-imino-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[5-[(2-amino-2-iminoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[5-(2-amino-2-iminoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[5-[(2-amino-2-imino-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H19N9O5S5 MolecularWeight: 601.72576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)SCC(=N)N)C(=O)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)SCC(=N)N)C(=O)O

InChI

InChI=1S/C18H19N9O5S5/c1-32-26-9(7-4-34-16(21)22-7)12(28)23-10-13(29)27-11(15(30)31)6(2-33-14(10)27)3-35-17-24-25-18(37-17)36-5-8(19)20/h4,10,14H,2-3,5H2,1H3,(H3,19,20)(H2,21,22)(H,23,28)(H,30,31)/b26-9+