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

Systemtic Name: (6R,7S)-3-methyl-7-(2-phenylethanoylamino)-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7S)-3-methyl-7-[(2-phenylacetyl)amino]-8-thioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-methyl-7-[(1-oxo-2-phenylethyl)amino]-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7S)-3-methyl-7-[(2-phenylacetyl)amino]-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-methyl-7-[(2-phenylacetyl)amino]-8-thioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H15N2O3S2- MolecularWeight: 347.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=S)NC(=O)CC3=CC=CC=C3)SC1)C(=O)[O-]

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=S)NC(=O)CC3=CC=CC=C3)SC1)C(=O)[O-]

InChI

InChI=1S/C16H16N2O3S2/c1-9-8-23-15-12(14(22)18(15)13(9)16(20)21)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,20,21)/p-1/t12-,15-/m1/s1