ethyl (2R)-2-[(4-methoxy-3-oxidanyl-phenyl)carbonylamino]-3-nitrososulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(4-methoxy-3-oxidanyl-phenyl)carbonylamino]-3-nitrososulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(3-hydroxy-4-methoxy-benzoyl)amino]-3-nitrososulfanyl-propanoate CAS Name: (2R)-2-[[(3-hydroxy-4-methoxyphenyl)-oxomethyl]amino]-3-(nitrosothio)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3-hydroxy-4-methoxybenzoyl)amino]-3-nitrososulfanylpropanoate Traditional Name: (2R)-2-(isovanilloylamino)-3-(nitrosothio)propionic acid ethyl ester Formula: C13H16N2O6S MolecularWeight: 328.34094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S/c1-3-21-13(18)9(7-22-15-19)14-12(17)8-4-5-11(20-2)10(16)6-8/h4-6,9,16H,3,7H2,1-2H3,(H,14,17)/t9-/m0/s1