chloromethyl 3,3-dimethyl-7-oxidanylidene-6-[2-[2-(phenylmethoxycarbonylamino)phenyl]ethanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: chloromethyl 3,3-dimethyl-7-oxidanylidene-6-[2-[2-(phenylmethoxycarbonylamino)phenyl]ethanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: chloromethyl 6-[[2-[2-(benzyloxycarbonylamino)phenyl]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-[[1-oxo-2-[2-(phenylmethoxycarbonylamino)phenyl]ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chloromethyl ester IUPAC Name: chloromethyl 3,3-dimethyl-7-oxo-6-[[2-[2-(phenylmethoxycarbonylamino)phenyl]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[[2-[2-(benzyloxycarbonylamino)phenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chloromethyl ester Formula: C25H26ClN3O6S MolecularWeight: 532.00844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)OCC4=CC=CC=C4)C(=O)OCCl)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)OCC4=CC=CC=C4)C(=O)OCCl)C

InChI

InChI=1S/C25H26ClN3O6S/c1-25(2)20(23(32)35-14-26)29-21(31)19(22(29)36-25)28-18(30)12-16-10-6-7-11-17(16)27-24(33)34-13-15-8-4-3-5-9-15/h3-11,19-20,22H,12-14H2,1-2H3,(H,27,33)(H,28,30)