(6R,7S)-7-[[(2R)-2-azaniumyl-2-phenyl-ethanoyl]amino]-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7S)-7-[[(2R)-2-azaniumyl-2-phenyl-ethanoyl]amino]-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7S)-7-[[(2R)-2-azaniumyl-2-phenyl-acetyl]amino]-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-7-[[(2R)-2-ammonio-1-oxo-2-phenylethyl]amino]-3-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7S)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-7-[[(2R)-2-ammonio-2-phenyl-acetyl]amino]-8-keto-3-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H19N5O4S3 MolecularWeight: 477.58026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SC2=C(N3C(CC2)C(C3=O)NC(=O)C(C4=CC=CC=C4)[NH3+])C(=O)[O-]

Isomeric SMILES

CSC1=NN=C(S1)SC2=C(N3[C@H](CC2)[C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)[NH3+])C(=O)[O-]

InChI

InChI=1S/C19H19N5O4S3/c1-29-18-22-23-19(31-18)30-11-8-7-10-13(16(26)24(10)14(11)17(27)28)21-15(25)12(20)9-5-3-2-4-6-9/h2-6,10,12-13H,7-8,20H2,1H3,(H,21,25)(H,27,28)/t10-,12-,13+/m1/s1