[2-acetyloxy-4-[5-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[5-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[5-[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethoxyimino-acetyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[5-[7-[[(2E)-2-(2-amino-4-thiazolyl)-2-ethoxyimino-1-oxoethyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[5-[7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[5-[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethyloximino-acetyl]amino]-2-carboxyoxy-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] ester Formula: C27H23N7O10S4 MolecularWeight: 733.77242

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NN=C(S4)C5=CC(=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)O)C=S

Isomeric SMILES

CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NN=C(S4)C5=CC(=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)O)C=S

InChI

InChI=1S/C27H23N7O10S4/c1-4-41-33-18(15-9-47-25(28)29-15)19(37)30-27(10-45)23(38)34-22(44-26(39)40)14(8-46-24(27)34)21-32-31-20(48-21)13-5-6-16(42-11(2)35)17(7-13)43-12(3)36/h5-7,9-10,24H,4,8H2,1-3H3,(H2,28,29)(H,30,37)(H,39,40)/b33-18+