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

Systemtic Name: ethyl 2-[[5-[(1-methylsulfonylpiperidin-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(1-methylsulfonyl-3-piperidinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(1-mesylnipecotoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C13H20N4O5S3 MolecularWeight: 408.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C13H20N4O5S3/c1-3-22-10(18)8-23-13-16-15-12(24-13)14-11(19)9-5-4-6-17(7-9)25(2,20)21/h9H,3-8H2,1-2H3,(H,14,15,19)