7-[(2-methanoyloxy-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-propan-2-yloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-methanoyloxy-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-propan-2-yloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-formyloxy-2-phenyl-acetyl)amino]-3-isopropoxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-formyloxy-1-oxo-2-phenylethyl)amino]-8-oxo-3-[oxo(propan-2-yloxy)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-formyloxy-2-phenylacetyl)amino]-8-oxo-3-propan-2-yloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-formyloxy-2-phenyl-acetyl)amino]-3-isopropoxycarbonyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N2O8S MolecularWeight: 448.4464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)OC=O)SC1)C(=O)O

Isomeric SMILES

CC(C)OC(=O)C1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)OC=O)SC1)C(=O)O

InChI

InChI=1S/C20H20N2O8S/c1-10(2)30-20(28)12-8-31-18-13(17(25)22(18)14(12)19(26)27)21-16(24)15(29-9-23)11-6-4-3-5-7-11/h3-7,9-10,13,15,18H,8H2,1-2H3,(H,21,24)(H,26,27)