methyl (2R)-4-[4-(1,3-dithian-2-yl)phenyl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-(1,3-dithian-2-yl)phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(1,3-dithian-2-yl)benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(1,3-dithian-2-yl)benzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-(1,3-dithian-2-yl)benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H21NO3S3 MolecularWeight: 383.54854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C17H21NO3S3/c1-21-16(20)14-11-18(7-10-22-14)15(19)12-3-5-13(6-4-12)17-23-8-2-9-24-17/h3-6,14,17H,2,7-11H2,1H3/t14-/m1/s1