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

Systemtic Name: 2-[(3,4-diethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,4-diethoxybenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,4-diethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]-4-(methylthio)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(CCSC)C(=O)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S/c1-4-21-13-7-6-11(10-14(13)22-5-2)15(18)17-12(16(19)20)8-9-23-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,17,18)(H,19,20)