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

Systemtic Name: 2,2-dimethyl-4-[4-(5-methylthiophen-2-yl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(5-methyl-2-thienyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(5-methyl-2-thiophenyl)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(5-methylthiophen-2-yl)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(5-methyl-2-thienyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C18H21NO4S3 MolecularWeight: 411.55864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

InChI

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