1-ethoxycarbonyloxyethyl 7-[[(2E)-2-methoxyimino-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-butanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-methoxyimino-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-butanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-methoxyimino-3-oxo-4-(p-tolylsulfonyloxy)butanoyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-methoxyimino-4-(4-methylphenyl)sulfonyloxy-1,3-dioxobutyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-methoxyimino-4-(4-methylphenyl)sulfonyloxy-3-oxobutanoyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[(2E)-3-keto-2-methyloximino-4-tosyloxy-butanoyl]amino]-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C26H31N3O13S2 MolecularWeight: 657.66664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C(=O)COS(=O)(=O)C3=CC=C(C=C3)C)COC

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)/C(=N/OC)/C(=O)COS(=O)(=O)C3=CC=C(C=C3)C)COC

InChI

InChI=1S/C26H31N3O13S2/c1-6-39-26(34)42-15(3)41-25(33)21-16(11-37-4)13-43-24-20(23(32)29(21)24)27-22(31)19(28-38-5)18(30)12-40-44(35,36)17-9-7-14(2)8-10-17/h7-10,15,20,24H,6,11-13H2,1-5H3,(H,27,31)/b28-19+