methyl (6R,7R)-7-benzamido-4-[(E)-but-2-enoyl]-3-methyl-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl (6R,7R)-7-benzamido-4-[(E)-but-2-enoyl]-3-methyl-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl (6R,7R)-7-benzamido-4-[(E)-but-2-enoyl]-3-methyl-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-benzamido-3-methyl-5,8-dioxo-4-[(E)-1-oxobut-2-enyl]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (6R,7R)-7-benzamido-4-[(E)-but-2-enoyl]-3-methyl-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-benzamido-4-[(E)-but-2-enoyl]-5,8-diketo-3-methyl-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1C(=C(N2C(S1=O)C(C2=O)NC(=O)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

C/C=C/C(=O)C1C(=C(N2[C@H](S1=O)[C@@H](C2=O)NC(=O)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C20H20N2O6S/c1-4-8-13(23)16-11(2)15(20(26)28-3)22-18(25)14(19(22)29(16)27)21-17(24)12-9-6-5-7-10-12/h4-10,14,16,19H,1-3H3,(H,21,24)/b8-4+/t14-,16?,19-,29?/m1/s1