7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-pentoxyimino-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-azanyl-1,3-thiazol-4-yl)-2-pentoxyimino-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-aminothiazol-4-yl)-2-pentoxyimino-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-amino-4-thiazolyl)-1-oxo-2-pentoxyiminoethyl]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-amino-1,3-thiazol-4-yl)-2-pentoxyiminoacetyl]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-aminothiazol-4-yl)-2-amyloximino-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: C20H23N7O5S4 MolecularWeight: 569.70052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=CS4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23N7O5S4/c1-2-3-4-5-32-26-12(11-8-34-19(21)23-11)15(28)24-13-16(29)27-14(18(30)31)10(6-33-17(13)27)7-35-20-25-22-9-36-20/h8-9,13,17H,2-7H2,1H3,(H2,21,23)(H,24,28)(H,30,31)/b26-12+