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

Systemtic Name: 2-ethylbutanoyloxymethyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(5-oxidanylideneoxolan-2-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2-ethylbutanoyloxymethyl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-[(E)-2-(5-oxotetrahydrofuran-2-yl)vinyl]-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-[(E)-2-(5-oxo-2-oxolanyl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2-ethyl-1-oxobutoxy)methyl ester IUPAC Name: 2-ethylbutanoyloxymethyl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(E)-2-(5-oxooxolan-2-yl)ethenyl]-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-[(E)-2-(5-ketotetrahydrofuran-2-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2-ethylbutanoyloxymethyl ester Formula: C26H31N5O9S2 MolecularWeight: 621.68244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)C=CC4CCC(=O)O4

Isomeric SMILES

CCC(CC)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)/C(=N/OC)/C3=CSC(=N3)N)/C=C/C4CCC(=O)O4

InChI

InChI=1S/C26H31N5O9S2/c1-4-13(5-2)24(35)38-12-39-25(36)20-14(6-7-15-8-9-17(32)40-15)10-41-23-19(22(34)31(20)23)29-21(33)18(30-37-3)16-11-42-26(27)28-16/h6-7,11,13,15,19,23H,4-5,8-10,12H2,1-3H3,(H2,27,28)(H,29,33)/b7-6+,30-18+