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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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