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

Systemtic Name: 4-methylsulfanyl-2-[(4-propoxyphenyl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(4-propoxybenzoyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(4-propoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(4-propoxybenzoyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(4-propoxybenzoyl)amino]butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O

InChI

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