4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pentanethioate

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pentanethioate Openeye Name: 4-(tert-butoxycarbonylamino)-5-phenyl-pentanethioate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenylpentanethioate IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanethioate Traditional Name: 4-(tert-butoxycarbonylamino)-5-phenyl-thiovalerate Formula: C16H22NO3S- MolecularWeight: 308.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=S)[O-])CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=S)[O-])CC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3S/c1-16(2,3)20-15(19)17-13(9-10-14(18)21)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,19)(H,18,21)/p-1