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

Systemtic Name: ethyl 2-[[5-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-pyrrolidinosulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C17H20N4O5S3 MolecularWeight: 456.5595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S3/c1-2-26-14(22)11-27-17-20-19-16(28-17)18-15(23)12-6-5-7-13(10-12)29(24,25)21-8-3-4-9-21/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,19,23)