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

Systemtic Name: ethyl (2R)-2-[(4-methoxy-3-oxidanyl-phenyl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(3-hydroxy-4-methoxy-benzoyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(3-hydroxy-4-methoxyphenyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3-hydroxy-4-methoxybenzoyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-(isovanilloylamino)-3-mercapto-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)OC)O

Isomeric SMILES

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

InChI

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