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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-3-4-9-20-12-7-5-11(6-8-12)14(17)16-13(10-21-2)15(18)19/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,17)(H,18,19)