propan-2-yloxycarbonyloxymethyl 7-[[(2Z)-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: propan-2-yloxycarbonyloxymethyl 7-[[(2Z)-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: isopropoxycarbonyloxymethyl 7-[[(2Z)-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-[[(2Z)-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 [oxo(propan-2-yloxy)methoxy]methyl ester IUPAC Name: propan-2-yloxycarbonyloxymethyl 7-[[(2Z)-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-[[(2Z)-3-keto-2-methyloximino-4-tosyloxy-butanoyl]amino]-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid isopropoxycarbonyloxymethyl ester Formula: C26H31N3O13S2 MolecularWeight: 657.66664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C(=NOC)C(=O)NC2C3N(C2=O)C(=C(CS3)COC)C(=O)OCOC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)/C(=N/OC)/C(=O)NC2C3N(C2=O)C(=C(CS3)COC)C(=O)OCOC(=O)OC(C)C

InChI

InChI=1S/C26H31N3O13S2/c1-14(2)42-26(34)40-13-39-25(33)21-16(10-37-4)12-43-24-20(23(32)29(21)24)27-22(31)19(28-38-5)18(30)11-41-44(35,36)17-8-6-15(3)7-9-17/h6-9,14,20,24H,10-13H2,1-5H3,(H,27,31)/b28-19-