3-(acetyloxymethyl)-7-[[5-[2-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]ethyl]-1H-imidazol-2-yl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[[5-[2-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]ethyl]-1H-imidazol-2-yl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[5-[2-[[2-(2-aminothiazol-4-yl)acetyl]amino]ethyl]-1H-imidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[5-[2-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]ethyl]-1H-imidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[5-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-1H-imidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[5-[2-[[2-(2-aminothiazol-4-yl)acetyl]amino]ethyl]-1H-imidazol-2-yl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H23N7O6S2 MolecularWeight: 521.56992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC3=NC=C(N3)CCNC(=O)CC4=CSC(=N4)N)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC3=NC=C(N3)CCNC(=O)CC4=CSC(=N4)N)SC1)C(=O)O

InChI

InChI=1S/C20H23N7O6S2/c1-9(28)33-6-10-7-34-17-14(16(30)27(17)15(10)18(31)32)26-20-23-5-11(25-20)2-3-22-13(29)4-12-8-35-19(21)24-12/h5,8,14,17H,2-4,6-7H2,1H3,(H2,21,24)(H,22,29)(H,31,32)(H2,23,25,26)