2-[(3,4-diethoxyphenyl)carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(3,4-diethoxyphenyl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(3,4-diethoxybenzoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(3,4-diethoxybenzoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]-3-mercapto-propionic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(CS)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(CS)C(=O)O)OCC

InChI

InChI=1S/C14H19NO5S/c1-3-19-11-6-5-9(7-12(11)20-4-2)13(16)15-10(8-21)14(17)18/h5-7,10,21H,3-4,8H2,1-2H3,(H,15,16)(H,17,18)