2-[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(2-methyl-2-morpholino-propanoyl)phenyl]sulfanylacetic acid CAS Name: 2-[[4-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]phenyl]thio]acetic acid IUPAC Name: 2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(2-methyl-2-morpholino-propanoyl)phenyl]thio]acetic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)SCC(=O)O)N2CCOCC2

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)SCC(=O)O)N2CCOCC2

InChI

InChI=1S/C16H21NO4S/c1-16(2,17-7-9-21-10-8-17)15(20)12-3-5-13(6-4-12)22-11-14(18)19/h3-6H,7-11H2,1-2H3,(H,18,19)