4-[4-(5-ethanoylthiophen-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(5-ethanoylthiophen-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(5-acetyl-2-thienyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(5-acetyl-2-thiophenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(5-acetylthiophen-2-yl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(5-acetyl-2-thienyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H21NO5S3 MolecularWeight: 439.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(S1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

InChI

InChI=1S/C19H21NO5S3/c1-12(21)15-8-9-16(27-15)13-4-6-14(7-5-13)28(24,25)20-10-11-26-19(2,3)17(20)18(22)23/h4-9,17H,10-11H2,1-3H3,(H,22,23)