ethyl (2R)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C20H31NO4S MolecularWeight: 381.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C20H31NO4S/c1-8-25-18(24)15(11-26)21-17(23)12-9-13(19(2,3)4)16(22)14(10-12)20(5,6)7/h9-10,15,22,26H,8,11H2,1-7H3,(H,21,23)/t15-/m0/s1