2-[(4-butoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-butoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-butoxybenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-butoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-butoxybenzoyl)amino]-4-(methylthio)butyric acid Formula: C16H23NO4S MolecularWeight: 325.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C16H23NO4S/c1-3-4-10-21-13-7-5-12(6-8-13)15(18)17-14(16(19)20)9-11-22-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,18)(H,19,20)