7-[[(2E)-2-(1-azanylpropan-2-yloxyimino)-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(1-azanylpropan-2-yloxyimino)-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-amino-1-methyl-ethoxy)imino-2-(2-aminothiazol-4-yl)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(1-aminopropan-2-yloxyimino)-2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(1-aminopropan-2-yloxyimino)-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-amino-1-methyl-ethyl)oximino-2-(2-aminothiazol-4-yl)acetyl]amino]-8-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H20N8O5S4 MolecularWeight: 556.662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=CS4)C(=O)O

Isomeric SMILES

CC(CN)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=CS4)C(=O)O

InChI

InChI=1S/C18H20N8O5S4/c1-7(2-19)31-25-10(9-5-33-17(20)22-9)13(27)23-11-14(28)26-12(16(29)30)8(3-32-15(11)26)4-34-18-24-21-6-35-18/h5-7,11,15H,2-4,19H2,1H3,(H2,20,22)(H,23,27)(H,29,30)/b25-10+