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

Systemtic Name: ethyl 2-[[5-[(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-methyl-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-methyl-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-methyl-3-pyrrolidinosulfonyl-benzoyl)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)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3

InChI

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