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

Systemtic Name: ethyl (3S)-4-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[2-(3-bromoanilino)-2-oxo-ethyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[2-(3-bromoanilino)-2-oxoethyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[2-(3-bromoanilino)-2-oxoethyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-[2-(3-bromoanilino)-2-keto-ethyl]thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C15H20BrN2O3S+ MolecularWeight: 388.2999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O3S/c1-2-21-15(20)13-10-22-7-6-18(13)9-14(19)17-12-5-3-4-11(16)8-12/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,19)/p+1/t13-/m1/s1