methyl (2R)-4-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C18H21FNO4S2+ MolecularWeight: 398.492043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCSC(C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C18H20FNO4S2/c1-3-24-18(22)16-11(15-12(19)5-4-6-13(15)26-16)9-20-7-8-25-14(10-20)17(21)23-2/h4-6,14H,3,7-10H2,1-2H3/p+1/t14-/m1/s1