ethyl 3-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]sulfanylpropanoate Openeye Name: ethyl 3-[(2S)-4-methyl-2-(p-tolylsulfonylamino)pentanoyl]sulfanylpropanoate CAS Name: 3-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]sulfanylpropanoate Traditional Name: 3-[[(2S)-4-methyl-2-(tosylamino)pentanoyl]thio]propionic acid ethyl ester Formula: C18H27NO5S2 MolecularWeight: 401.54068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=O)C(CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)CCSC(=O)[C@H](CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H27NO5S2/c1-5-24-17(20)10-11-25-18(21)16(12-13(2)3)19-26(22,23)15-8-6-14(4)7-9-15/h6-9,13,16,19H,5,10-12H2,1-4H3/t16-/m0/s1