2-[[4-(2-methylpropoxy)phenyl]carbonylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[[4-(2-methylpropoxy)phenyl]carbonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[(4-isobutoxybenzoyl)amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[4-(2-methylpropoxy)benzoyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[(4-isobutoxybenzoyl)amino]-3-(methylthio)propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-10(2)8-20-12-6-4-11(5-7-12)14(17)16-13(9-21-3)15(18)19/h4-7,10,13H,8-9H2,1-3H3,(H,16,17)(H,18,19)