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

Systemtic Name: 2,2-dimethyl-4-(5-methylthiophen-2-yl)-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-2,2-dimethyl-4-(5-methyl-2-thienyl)thiomorpholine-3-carboxylic acid CAS Name: 3-(benzenesulfonyl)-2,2-dimethyl-4-(5-methyl-2-thiophenyl)-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-2,2-dimethyl-4-(5-methylthiophen-2-yl)thiomorpholine-3-carboxylic acid Traditional Name: 3-besyl-2,2-dimethyl-4-(5-methyl-2-thienyl)thiomorpholine-3-carboxylic acid Formula: C18H21NO4S3 MolecularWeight: 411.55864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)N2CCSC(C2(C(=O)O)S(=O)(=O)C3=CC=CC=C3)(C)C

Isomeric SMILES

CC1=CC=C(S1)N2CCSC(C2(C(=O)O)S(=O)(=O)C3=CC=CC=C3)(C)C

InChI

InChI=1S/C18H21NO4S3/c1-13-9-10-15(25-13)19-11-12-24-17(2,3)18(19,16(20)21)26(22,23)14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3,(H,20,21)