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

Systemtic Name: methyl 4-[[5-(2-cyclopentylethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(2-cyclopentylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(2-cyclopentyl-1-oxoethyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-cyclopentylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(2-cyclopentylacetyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CC3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CC3CCCC3

InChI

InChI=1S/C18H21N3O3S2/c1-24-16(23)14-8-6-13(7-9-14)11-25-18-21-20-17(26-18)19-15(22)10-12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,19,20,22)