(6R,7S)-7-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7S)-7-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7S)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7S)-7-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylthio)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7S)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7S)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-keto-3-(1,3,4-thiadiazol-2-ylthio)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H17N5O4S2 MolecularWeight: 431.48868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)SC4=NN=CS4

Isomeric SMILES

C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)SC4=NN=CS4

InChI

InChI=1S/C18H17N5O4S2/c19-12(9-4-2-1-3-5-9)15(24)21-13-10-6-7-11(29-18-22-20-8-28-18)14(17(26)27)23(10)16(13)25/h1-5,8,10,12-13H,6-7,19H2,(H,21,24)(H,26,27)/t10-,12-,13+/m1/s1