tert-butyl 4-benzamidosulfanyl-5-phenyl-2-propan-2-yl-pentanoate

Systemtic Name: tert-butyl 4-benzamidosulfanyl-5-phenyl-2-propan-2-yl-pentanoate Openeye Name: tert-butyl 4-benzamidosulfanyl-2-isopropyl-5-phenyl-pentanoate CAS Name: 4-(benzamidothio)-5-phenyl-2-propan-2-ylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzamidosulfanyl-5-phenyl-2-propan-2-ylpentanoate Traditional Name: 4-(benzamidothio)-2-isopropyl-5-phenyl-valeric acid tert-butyl ester Formula: C25H33NO3S MolecularWeight: 427.59942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(CC1=CC=CC=C1)SNC(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(CC(CC1=CC=CC=C1)SNC(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33NO3S/c1-18(2)22(24(28)29-25(3,4)5)17-21(16-19-12-8-6-9-13-19)30-26-23(27)20-14-10-7-11-15-20/h6-15,18,21-22H,16-17H2,1-5H3,(H,26,27)