(6R,7R)-3-methyl-8-oxidanidylcarbothioyl-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-3-methyl-8-oxidanidylcarbothioyl-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-3-methyl-8-oxidocarbothioyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-methyl-8-[oxido(sulfanylidene)methyl]-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-3-methyl-8-oxidocarbothioyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-methyl-7-[(2-phenylacetyl)amino]-8-thiocarboxylato-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H16N2O4S2-2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2SC1)NC(=O)CC3=CC=CC=C3)C(=S)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2C(=S)[O-])NC(=O)CC3=CC=CC=C3)SC1)C(=O)[O-]

InChI

InChI=1S/C17H18N2O4S2/c1-9-8-25-15-12(14(17(23)24)19(15)13(9)16(21)22)18-11(20)7-10-5-3-2-4-6-10/h2-6,12,14-15H,7-8H2,1H3,(H,18,20)(H,21,22)(H,23,24)/p-2/t12-,14?,15-/m1/s1