(3S)-4-(4-acetyloxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: (3S)-4-(4-acetyloxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: (3S)-4-(4-acetoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: (3S)-4-(4-acetyloxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: (3S)-4-(4-acetyloxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: (3S)-4-(4-acetoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C15H19NO6S2 MolecularWeight: 373.44446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)S(=O)(=O)N2CCSC([C@@H]2C(=O)O)(C)C

InChI

InChI=1S/C15H19NO6S2/c1-10(17)22-11-4-6-12(7-5-11)24(20,21)16-8-9-23-15(2,3)13(16)14(18)19/h4-7,13H,8-9H2,1-3H3,(H,18,19)/t13-/m0/s1