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

Systemtic Name: 4-(3-methanoylthiophen-2-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-(3-formyl-2-thienyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-(3-formyl-2-thiophenyl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-(3-formylthiophen-2-yl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 3-besyl-4-(3-formyl-2-thienyl)-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)C2=C(C=CS2)C=O)(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N(CCS1)C2=C(C=CS2)C=O)(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C

InChI

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