methyl (2R)-4-[3-(1,3-benzothiazol-2-yl)propanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[3-(1,3-benzothiazol-2-yl)propanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[3-(1,3-benzothiazol-2-yl)propanoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[3-(1,3-benzothiazol-2-yl)propanoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[3-(1,3-benzothiazol-2-yl)propanoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N2O3S2/c1-21-16(20)13-10-18(8-9-22-13)15(19)7-6-14-17-11-4-2-3-5-12(11)23-14/h2-5,13H,6-10H2,1H3/t13-/m1/s1