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

Systemtic Name: 4-[4-(3-methanoylthiophen-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(3-formyl-2-thienyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(3-formyl-2-thiophenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(3-formylthiophen-2-yl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(3-formyl-2-thienyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C18H19NO5S3 MolecularWeight: 425.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CS3)C=O)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CS3)C=O)C(=O)O)C

InChI

InChI=1S/C18H19NO5S3/c1-18(2)16(17(21)22)19(8-10-26-18)27(23,24)14-5-3-12(4-6-14)15-13(11-20)7-9-25-15/h3-7,9,11,16H,8,10H2,1-2H3,(H,21,22)