2-[2-(4-ethoxyphenyl)sulfanylethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(4-ethoxyphenyl)sulfanylethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid Traditional Name: 3-methyl-2-[[2-(p-phenetylthio)acetyl]amino]butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NC(C(C)C)C(=O)O

InChI

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