S-(4-methylphenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanethioate

Systemtic Name: S-(4-methylphenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanethioate Openeye Name: S-(p-tolyl) 2-(tert-butoxycarbonylamino)-4-phenyl-butanethioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanethioate Traditional Name: 2-(tert-butoxycarbonylamino)-4-phenyl-butanethioic acid S-(p-tolyl) ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(CCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C(CCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO3S/c1-16-10-13-18(14-11-16)27-20(24)19(23-21(25)26-22(2,3)4)15-12-17-8-6-5-7-9-17/h5-11,13-14,19H,12,15H2,1-4H3,(H,23,25)