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

Systemtic Name: methyl 4-[[5-(3-methylsulfanylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3-methylsulfanylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[3-(methylthio)-1-oxopropyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-methylsulfanylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[3-(methylthio)propanoylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C15H17N3O3S3 MolecularWeight: 383.50878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S3/c1-21-13(20)11-5-3-10(4-6-11)9-23-15-18-17-14(24-15)16-12(19)7-8-22-2/h3-6H,7-9H2,1-2H3,(H,16,17,19)