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

Systemtic Name: ethyl 2-[[5-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(1-esylisonipecotoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C14H22N4O5S3 MolecularWeight: 422.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)CC

InChI

InChI=1S/C14H22N4O5S3/c1-3-23-11(19)9-24-14-17-16-13(25-14)15-12(20)10-5-7-18(8-6-10)26(21,22)4-2/h10H,3-9H2,1-2H3,(H,15,16,20)