(6R,7R)-3-[(E)-2-methylsulfonylethenyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-[(E)-2-methylsulfonylethenyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-[(E)-2-methylsulfonylvinyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[(E)-2-methylsulfonylethenyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[(E)-2-methylsulfonylethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-8-keto-3-[(E)-2-mesylvinyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O6S3 MolecularWeight: 428.50304

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C=CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

Isomeric SMILES

CS(=O)(=O)/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

InChI

InChI=1S/C16H16N2O6S3/c1-27(23,24)6-4-9-8-26-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-3-2-5-25-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)/b6-4+/t12-,15-/m1/s1