7-[[(2E)-2-(2-ethoxy-2-oxidanylidene-ethoxy)imino-2-(2-formamido-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-(2-ethoxy-2-oxidanylidene-ethoxy)imino-2-(2-formamido-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-ethoxy-2-oxo-ethoxy)imino-2-(2-formamidothiazol-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-(2-ethoxy-2-oxoethoxy)imino-2-(2-formamido-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-(2-ethoxy-2-oxoethoxy)imino-2-(2-formamido-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-ethoxy-2-keto-ethyl)oximino-2-(2-formamidothiazol-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: C20H19N7O8S4 MolecularWeight: 613.66696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CON=C(C1=CSC(=N1)NC=O)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=CS4)C(=O)O

Isomeric SMILES

CCOC(=O)CO/N=C(\C1=CSC(=N1)NC=O)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=CS4)C(=O)O

InChI

InChI=1S/C20H19N7O8S4/c1-2-34-11(29)3-35-26-12(10-6-37-19(23-10)21-7-28)15(30)24-13-16(31)27-14(18(32)33)9(4-36-17(13)27)5-38-20-25-22-8-39-20/h6-8,13,17H,2-5H2,1H3,(H,24,30)(H,32,33)(H,21,23,28)/b26-12+