tert-butyl 3-(4-hydroxyphenyl)-2-(2-phenylsulfanylethanoylamino)propanoate

Systemtic Name: tert-butyl 3-(4-hydroxyphenyl)-2-(2-phenylsulfanylethanoylamino)propanoate Openeye Name: tert-butyl 3-(4-hydroxyphenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(phenylthio)ethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-hydroxyphenyl)-2-[(2-phenylsulfanylacetyl)amino]propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-(phenylthio)acetyl]amino]propionic acid tert-butyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-21(2,3)26-20(25)18(13-15-9-11-16(23)12-10-15)22-19(24)14-27-17-7-5-4-6-8-17/h4-12,18,23H,13-14H2,1-3H3,(H,22,24)