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

Systemtic Name: methyl 4-[[5-(3,3-dimethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3,3-dimethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(3,3-dimethyl-1-oxobutyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3,3-dimethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3,3-dimethylbutanoylamino)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S2/c1-17(2,3)9-13(21)18-15-19-20-16(25-15)24-10-11-5-7-12(8-6-11)14(22)23-4/h5-8H,9-10H2,1-4H3,(H,18,19,21)