methyl 4-[[5-(3-cyclopentylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(3-cyclopentylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3-cyclopentylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(3-cyclopentyl-1-oxopropyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-cyclopentylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3-cyclopentylpropanoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3CCCC3

InChI

InChI=1S/C19H23N3O3S2/c1-25-17(24)15-9-6-14(7-10-15)12-26-19-22-21-18(27-19)20-16(23)11-8-13-4-2-3-5-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3,(H,20,21,23)