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

Systemtic Name: methyl 4-[[5-(hexanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(hexanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(1-oxohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(hexanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(caproylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-3-4-5-6-14(21)18-16-19-20-17(25-16)24-11-12-7-9-13(10-8-12)15(22)23-2/h7-10H,3-6,11H2,1-2H3,(H,18,19,21)