(phenylmethyl) 3-[(3,4-diacetyloxyphenyl)carbonyloxymethyl]-6-formamido-3-methyl-7-oxidanylidene-6-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[(3,4-diacetyloxyphenyl)carbonyloxymethyl]-6-formamido-3-methyl-7-oxidanylidene-6-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-[(3,4-diacetoxybenzoyl)oxymethyl]-6-formamido-3-methyl-7-oxo-6-(2,2,2-trichloroethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-[[(3,4-diacetyloxyphenyl)-oxomethoxy]methyl]-6-formamido-3-methyl-7-oxo-6-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(3,4-diacetyloxybenzoyl)oxymethyl]-6-formamido-3-methyl-7-oxo-6-(2,2,2-trichloroethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-[(3,4-diacetoxybenzoyl)oxymethyl]-6-formamido-7-keto-3-methyl-6-(2,2,2-trichloroethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C30H28Cl3N3O12S MolecularWeight: 760.98022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)OCC2(C(N3C(S2)C(C3=O)(NC=O)NC(=O)OCC(Cl)(Cl)Cl)C(=O)OCC4=CC=CC=C4)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)OCC2(C(N3C(S2)C(C3=O)(NC=O)NC(=O)OCC(Cl)(Cl)Cl)C(=O)OCC4=CC=CC=C4)C)OC(=O)C

InChI

InChI=1S/C30H28Cl3N3O12S/c1-16(38)47-20-10-9-19(11-21(20)48-17(2)39)23(40)45-13-28(3)22(24(41)44-12-18-7-5-4-6-8-18)36-25(42)30(34-15-37,26(36)49-28)35-27(43)46-14-29(31,32)33/h4-11,15,22,26H,12-14H2,1-3H3,(H,34,37)(H,35,43)