ethyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(3-morpholinosulfonylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[3-(4-morpholinylsulfonyl)phenyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(3-morpholinosulfonylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N5O6S2 MolecularWeight: 497.58828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H27N5O6S2/c1-2-30-19(26)23-8-6-22(7-9-23)15-25-20(32)31-18(21-25)16-4-3-5-17(14-16)33(27,28)24-10-12-29-13-11-24/h3-5,14H,2,6-13,15H2,1H3