7-acetamido-3-[(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-acetamido-3-[(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-acetamido-3-[(3-methoxy-2-methoxycarbonyl-3-oxo-propanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-acetamido-3-[(3-methoxy-2-methoxycarbonyl-1,3-dioxopropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-acetamido-3-[(3-methoxy-2-methoxycarbonyl-3-oxopropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-acetamido-3-[(2-carbomethoxy-3-keto-3-methoxy-propanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H17N3O9S MolecularWeight: 415.37518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)NC(=O)C(C(=O)OC)C(=O)OC)C(=O)O

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)NC(=O)C(C(=O)OC)C(=O)OC)C(=O)O

InChI

InChI=1S/C15H17N3O9S/c1-5(19)16-8-11(21)18-9(13(22)23)6(4-28-12(8)18)17-10(20)7(14(24)26-2)15(25)27-3/h7-8,12H,4H2,1-3H3,(H,16,19)(H,17,20)(H,22,23)