ethyl 2-[[5-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C19H24N4O5S3 MolecularWeight: 484.61266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H24N4O5S3/c1-3-28-16(24)12-29-19-22-21-18(30-19)20-17(25)14-8-7-13(2)15(11-14)31(26,27)23-9-5-4-6-10-23/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,21,25)