tert-butyl 3-[2-[4-(4-bromophenyl)pyridin-3-yl]-4-oxidanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: tert-butyl 3-[2-[4-(4-bromophenyl)pyridin-3-yl]-4-oxidanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: tert-butyl 3-[2-[4-(4-bromophenyl)-3-pyridyl]-4-oxo-thiazolidin-3-yl]propanoate CAS Name: 3-[2-[4-(4-bromophenyl)-3-pyridinyl]-4-oxo-3-thiazolidinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[4-(4-bromophenyl)pyridin-3-yl]-4-oxo-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[2-[4-(4-bromophenyl)-3-pyridyl]-4-keto-thiazolidin-3-yl]propionic acid tert-butyl ester Formula: C21H23BrN2O3S MolecularWeight: 463.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C(SCC1=O)C2=C(C=CN=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C(SCC1=O)C2=C(C=CN=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O3S/c1-21(2,3)27-19(26)9-11-24-18(25)13-28-20(24)17-12-23-10-8-16(17)14-4-6-15(22)7-5-14/h4-8,10,12,20H,9,11,13H2,1-3H3