4-(5-ethanoylthiophen-2-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(5-ethanoylthiophen-2-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 4-(5-acetyl-2-thienyl)-3-(benzenesulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-(5-acetyl-2-thiophenyl)-3-(benzenesulfonyl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(5-acetylthiophen-2-yl)-3-(benzenesulfonyl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(5-acetyl-2-thienyl)-3-besyl-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)N2CCSC(C2(C(=O)O)S(=O)(=O)C3=CC=CC=C3)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(S1)N2CCSC(C2(C(=O)O)S(=O)(=O)C3=CC=CC=C3)(C)C

InChI

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