ethyl (3S)-4-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]thiomorpholin-4-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[2-(4-methoxyanilino)-2-oxo-ethyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[2-(4-methoxyanilino)-2-oxoethyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[2-(4-methoxyanilino)-2-oxoethyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-[2-keto-2-(p-anisidino)ethyl]thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C16H23N2O4S+ MolecularWeight: 339.42982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCC[NH+]1CC(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@H]1CSCC[NH+]1CC(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N2O4S/c1-3-22-16(20)14-11-23-9-8-18(14)10-15(19)17-12-4-6-13(21-2)7-5-12/h4-7,14H,3,8-11H2,1-2H3,(H,17,19)/p+1/t14-/m1/s1