hexanoyloxymethyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: hexanoyloxymethyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: hexanoyloxymethyl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-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 1-oxohexoxymethyl ester IUPAC Name: hexanoyloxymethyl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-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 caproyloxymethyl ester Formula: C23H27N7O7S4 MolecularWeight: 641.76318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)CSC4=NN=CS4

Isomeric SMILES

CCCCCC(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)/C(=N/OC)/C3=CSC(=N3)N)CSC4=NN=CS4

InChI

InChI=1S/C23H27N7O7S4/c1-3-4-5-6-14(31)36-11-37-21(34)17-12(8-40-23-28-25-10-41-23)7-38-20-16(19(33)30(17)20)27-18(32)15(29-35-2)13-9-39-22(24)26-13/h9-10,16,20H,3-8,11H2,1-2H3,(H2,24,26)(H,27,32)/b29-15+