3,3-dimethylbutanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3,3-dimethylbutanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3,3-dimethylbutanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (3,3-dimethyl-1-oxobutoxy)methyl ester IUPAC Name: 3,3-dimethylbutanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3,3-dimethylbutanoyloxymethyl ester Formula: C20H25N5O7S2 MolecularWeight: 511.5718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N

Isomeric SMILES

CC(C)(C)CC(=O)OCOC(=O)C1=CCS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N

InChI

InChI=1S/C20H25N5O7S2/c1-20(2,3)7-12(26)31-9-32-18(29)11-5-6-33-17-14(16(28)25(11)17)23-15(27)13(24-30-4)10-8-34-19(21)22-10/h5,8,14,17H,6-7,9H2,1-4H3,(H2,21,22)(H,23,27)/b24-13-/t14-,17-/m1/s1