7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-[4-(chloromethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-[4-(chloromethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-acetyl]amino]-3-[4-(chloromethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxoethyl]amino]-3-[[4-(chloromethyl)phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-3-[4-(chloromethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-tert-butoxy-2-keto-ethyl)oximino-acetyl]amino]-3-[[4-(chloromethyl)phenyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H26ClN5O7S3 MolecularWeight: 640.15124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=CC=C(C=C4)CCl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=CC=C(C=C4)CCl)C(=O)O

InChI

InChI=1S/C25H26ClN5O7S3/c1-25(2,3)38-16(32)9-37-30-17(14-10-40-24(27)28-14)20(33)29-18-21(34)31-19(23(35)36)15(11-39-22(18)31)41-13-6-4-12(8-26)5-7-13/h4-7,10,18,22H,8-9,11H2,1-3H3,(H2,27,28)(H,29,33)(H,35,36)/b30-17+