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

Systemtic Name: ethyl (2R)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylamino]-3-nitrososulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]-3-nitrososulfanyl-propanoate CAS Name: (2R)-2-[[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]amino]-3-(nitrosothio)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]-3-nitrososulfanylpropanoate Traditional Name: (2R)-2-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]-3-(nitrosothio)propionic acid ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-8-27-18(25)15(11-28-22-26)21-17(24)12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-10,15,23H,8,11H2,1-7H3,(H,21,24)/t15-/m0/s1