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

Systemtic Name: ethyl (2R)-2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(4-hydroxy-3-methoxy-benzoyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-hydroxy-3-methoxybenzoyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-(vanilloylamino)propionic acid ethyl ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-3-19-13(17)9(7-20)14-12(16)8-4-5-10(15)11(6-8)18-2/h4-6,9,15,20H,3,7H2,1-2H3,(H,14,16)/t9-/m0/s1