1-[(2,6-diethylphenyl)-(2-methylsulfanylethanoyl)amino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[(2,6-diethylphenyl)-(2-methylsulfanylethanoyl)amino]cyclopropane-1-carboxylic acid Openeye Name: 1-(2,6-diethyl-N-(2-methylsulfanylacetyl)anilino)cyclopropanecarboxylic acid CAS Name: 1-(2,6-diethyl-N-[2-(methylthio)-1-oxoethyl]anilino)-1-cyclopropanecarboxylic acid IUPAC Name: 1-(2,6-diethyl-N-(2-methylsulfanylacetyl)anilino)cyclopropane-1-carboxylic acid Traditional Name: 1-(2,6-diethyl-N-[2-(methylthio)acetyl]anilino)cyclopropanecarboxylic acid Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N(C(=O)CSC)C2(CC2)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N(C(=O)CSC)C2(CC2)C(=O)O

InChI

InChI=1S/C17H23NO3S/c1-4-12-7-6-8-13(5-2)15(12)18(14(19)11-22-3)17(9-10-17)16(20)21/h6-8H,4-5,9-11H2,1-3H3,(H,20,21)