(6R,7E)-3-[[4-[(3R)-3-ethyl-2,6-bis(oxidanylidene)piperidin-3-yl]phenyl]carbamoyloxymethyl]-7-[(4-methylphenyl)sulfonylamino]sulfanylimino-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7E)-3-[[4-[(3R)-3-ethyl-2,6-bis(oxidanylidene)piperidin-3-yl]phenyl]carbamoyloxymethyl]-7-[(4-methylphenyl)sulfonylamino]sulfanylimino-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7E)-3-[[4-[(3R)-3-ethyl-2,6-dioxo-3-piperidyl]phenyl]carbamoyloxymethyl]-8-oxo-7-(p-tolylsulfonylamino)sulfanylimino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7E)-3-[[[4-[(3R)-3-ethyl-2,6-dioxo-3-piperidinyl]anilino]-oxomethoxy]methyl]-7-[[(4-methylphenyl)sulfonylamino]thio]imino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7E)-3-[[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]carbamoyloxymethyl]-7-[(4-methylphenyl)sulfonylamino]sulfanylimino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7E)-3-[[4-[(3R)-3-ethyl-2,6-diketo-3-piperidyl]phenyl]carbamoyloxymethyl]-8-keto-7-[(tosylamino)thio]imino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C29H29N5O9S3 MolecularWeight: 687.76366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC(=O)OCC3=C(N4C(C(=NSNS(=O)(=O)C5=CC=C(C=C5)C)C4=O)SC3)C(=O)O

Isomeric SMILES

CC[C@@]1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC(=O)OCC3=C(N4[C@@H](/C(=N/SNS(=O)(=O)C5=CC=C(C=C5)C)/C4=O)SC3)C(=O)O

InChI

InChI=1S/C29H29N5O9S3/c1-3-29(13-12-21(35)31-27(29)39)18-6-8-19(9-7-18)30-28(40)43-14-17-15-44-25-22(24(36)34(25)23(17)26(37)38)32-45-33-46(41,42)20-10-4-16(2)5-11-20/h4-11,25,33H,3,12-15H2,1-2H3,(H,30,40)(H,37,38)(H,31,35,39)/b32-22+/t25-,29-/m1/s1