ethyl (3S)-4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C16H20N3O3S2+ MolecularWeight: 366.4783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCC[NH+]1CN2C(=S)OC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CSCC[NH+]1CN2C(=S)OC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O3S2/c1-2-21-15(20)13-10-24-9-8-18(13)11-19-16(23)22-14(17-19)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/p+1/t13-/m1/s1