[2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-(2,4-diacetamidophenyl)-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-(2,4-diacetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-diacetamidophenyl)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-(2,4-diacetamidophenyl)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=C(C=C(C=C1)NC(=O)C)NC(=O)C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C1=C(C=C(C=C1)NC(=O)C)NC(=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5S/c1-13(29-17-7-5-4-6-8-17)21(27)28-12-20(26)18-10-9-16(22-14(2)24)11-19(18)23-15(3)25/h4-11,13H,12H2,1-3H3,(H,22,24)(H,23,25)/t13-/m1/s1