3-(acetyloxymethyl)-7-[2-[2-[[3-(4-cyanophenyl)carbonyl-2-oxidanylidene-imidazolidin-1-yl]carbonylamino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[2-[2-[[3-(4-cyanophenyl)carbonyl-2-oxidanylidene-imidazolidin-1-yl]carbonylamino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-[2-[[3-(4-cyanobenzoyl)-2-oxo-imidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[2-[[[3-[(4-cyanophenyl)-oxomethyl]-2-oxo-1-imidazolidinyl]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[2-[2-[[3-(4-cyanobenzoyl)-2-oxoimidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[2-[2-[[3-(4-cyanobenzoyl)-2-keto-imidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C30H26N6O9S MolecularWeight: 646.62724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)N4CCN(C4=O)C(=O)C5=CC=C(C=C5)C#N)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)N4CCN(C4=O)C(=O)C5=CC=C(C=C5)C#N)SC1)C(=O)O

InChI

InChI=1S/C30H26N6O9S/c1-16(37)45-14-20-15-46-27-23(26(40)36(27)24(20)28(41)42)33-22(38)12-19-4-2-3-5-21(19)32-29(43)35-11-10-34(30(35)44)25(39)18-8-6-17(13-31)7-9-18/h2-9,23,27H,10-12,14-15H2,1H3,(H,32,43)(H,33,38)(H,41,42)