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

Systemtic Name: 2-[(3,4-diethoxyphenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(3,4-diethoxybenzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(3,4-diethoxybenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S/c1-5-21-11-8-7-10(9-12(11)22-6-2)14(18)17-13(15(19)20)16(3,4)23/h7-9,13,23H,5-6H2,1-4H3,(H,17,18)(H,19,20)