7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-7-[[5-(3,4-diacetyloxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-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-ethoxyimino-ethanoyl]amino]-7-[[5-(3,4-diacetyloxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethoxyimino-acetyl]amino]-7-[[5-(3,4-diacetoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-ethoxyimino-1-oxoethyl]amino]-7-[[[5-(3,4-diacetyloxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-8-oxo-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-ethoxyiminoacetyl]amino]-7-[[5-(3,4-diacetyloxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethyloximino-acetyl]amino]-7-[[[5-(3,4-diacetoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H25N7O10S3 MolecularWeight: 703.7233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=CCS3)C(=O)O)CSC4=NN=C(O4)C5=CC(=C(C=C5)OC(=O)C)OC(=O)C

Isomeric SMILES

CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=CCS3)C(=O)O)CSC4=NN=C(O4)C5=CC(=C(C=C5)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H25N7O10S3/c1-4-41-33-19(15-10-46-25(28)29-15)20(37)30-27(23(40)34-16(22(38)39)7-8-45-24(27)34)11-47-26-32-31-21(44-26)14-5-6-17(42-12(2)35)18(9-14)43-13(3)36/h5-7,9-10,24H,4,8,11H2,1-3H3,(H2,28,29)(H,30,37)(H,38,39)/b33-19+