2-[(3,3-dimethyl-6-methylsulfanyl-7-oxidanylidene-2-phenylmethoxycarbonyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxidanylidene-1-phenyl-ethanesulfonic acid

Systemtic Name: 2-[(3,3-dimethyl-6-methylsulfanyl-7-oxidanylidene-2-phenylmethoxycarbonyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxidanylidene-1-phenyl-ethanesulfonic acid Openeye Name: 2-[(2-benzyloxycarbonyl-3,3-dimethyl-6-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxo-1-phenyl-ethanesulfonic acid CAS Name: 2-[[3,3-dimethyl-6-(methylthio)-7-oxo-2-phenylmethoxycarbonyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxo-1-phenylethanesulfonic acid IUPAC Name: 2-[(3,3-dimethyl-6-methylsulfanyl-7-oxo-2-phenylmethoxycarbonyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxo-1-phenylethanesulfonic acid Traditional Name: 2-[[2-carbobenzoxy-7-keto-3,3-dimethyl-6-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-keto-1-phenyl-ethanesulfonic acid Formula: C24H26N2O7S3 MolecularWeight: 550.66744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)SC)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)SC)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H26N2O7S3/c1-23(2)18(20(28)33-14-15-10-6-4-7-11-15)26-21(29)24(34-3,22(26)35-23)25-19(27)17(36(30,31)32)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,25,27)(H,30,31,32)