tert-butyl (3S)-2-methylidene-3-[[(S)-(4-methylphenyl)sulfinyl]amino]octanoate

Systemtic Name: tert-butyl (3S)-2-methylidene-3-[[(S)-(4-methylphenyl)sulfinyl]amino]octanoate Openeye Name: tert-butyl (3S)-2-methylene-3-[[(S)-p-tolylsulfinyl]amino]octanoate CAS Name: (3S)-2-methylene-3-[[(S)-(4-methylphenyl)sulfinyl]amino]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2-methylidene-3-[[(S)-(4-methylphenyl)sulfinyl]amino]octanoate Traditional Name: 2-[(1S)-1-[[(S)-p-tolylsulfinyl]amino]hexyl]acrylic acid tert-butyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=C)C(=O)OC(C)(C)C)NS(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC[C@@H](C(=C)C(=O)OC(C)(C)C)N[S@@](=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H31NO3S/c1-7-8-9-10-18(16(3)19(22)24-20(4,5)6)21-25(23)17-13-11-15(2)12-14-17/h11-14,18,21H,3,7-10H2,1-2,4-6H3/t18-,25-/m0/s1