(phenylmethyl) (2R)-3-methyl-2-[(4R)-1-oxidanidyl-3-oxidanylidene-4-(2-phenoxyethanoylamino)-1,2-thiazolidin-1-ium-2-yl]butanoate

Systemtic Name: (phenylmethyl) (2R)-3-methyl-2-[(4R)-1-oxidanidyl-3-oxidanylidene-4-(2-phenoxyethanoylamino)-1,2-thiazolidin-1-ium-2-yl]butanoate Openeye Name: benzyl (2R)-3-methyl-2-[(4R)-1-oxido-3-oxo-4-[(2-phenoxyacetyl)amino]isothiazolidin-1-ium-2-yl]butanoate CAS Name: (2R)-3-methyl-2-[(4R)-1-oxido-3-oxo-4-[(1-oxo-2-phenoxyethyl)amino]-2-isothiazolidin-1-iumyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-3-methyl-2-[(4R)-1-oxido-3-oxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-1-ium-2-yl]butanoate Traditional Name: (2R)-2-[(4R)-3-keto-1-oxido-4-[(2-phenoxyacetyl)amino]isothiazolidin-1-ium-2-yl]-3-methyl-butyric acid benzyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N2C(=O)C(C[S+]2[O-])NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC=CC=C1)N2C(=O)[C@H](C[S+]2[O-])NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O6S/c1-16(2)21(23(28)31-13-17-9-5-3-6-10-17)25-22(27)19(15-32(25)29)24-20(26)14-30-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3,(H,24,26)/t19-,21+,32?/m0/s1