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

Systemtic Name: ethyl 2-[[5-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[[4-(1-piperidylsulfonyl)benzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-piperidinosulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C18H22N4O5S3 MolecularWeight: 470.58608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S3/c1-2-27-15(23)12-28-18-21-20-17(29-18)19-16(24)13-6-8-14(9-7-13)30(25,26)22-10-4-3-5-11-22/h6-9H,2-5,10-12H2,1H3,(H,19,20,24)