ethyl (2Z,3S)-3-[[(R)-tert-butylsulfinyl]amino]-2-(phenylmethylidene)pentanoate

Systemtic Name: ethyl (2Z,3S)-3-[[(R)-tert-butylsulfinyl]amino]-2-(phenylmethylidene)pentanoate Openeye Name: ethyl (2Z,3S)-2-benzylidene-3-[[(R)-tert-butylsulfinyl]amino]pentanoate CAS Name: (2Z,3S)-3-[[(R)-tert-butylsulfinyl]amino]-2-(phenylmethylene)pentanoic acid ethyl ester IUPAC Name: ethyl (2Z,3S)-2-benzylidene-3-[[(R)-tert-butylsulfinyl]amino]pentanoate Traditional Name: (Z)-2-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]propyl]-3-phenyl-acrylic acid ethyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=CC1=CC=CC=C1)C(=O)OCC)NS(=O)C(C)(C)C

Isomeric SMILES

CC[C@@H](/C(=C/C1=CC=CC=C1)/C(=O)OCC)N[S@](=O)C(C)(C)C

InChI

InChI=1S/C18H27NO3S/c1-6-16(19-23(21)18(3,4)5)15(17(20)22-7-2)13-14-11-9-8-10-12-14/h8-13,16,19H,6-7H2,1-5H3/b15-13-/t16-,23+/m0/s1