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

Systemtic Name: methyl 4-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(1-oxo-3-phenylpropyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(hydrocinnamoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S2/c1-26-18(25)16-10-7-15(8-11-16)13-27-20-23-22-19(28-20)21-17(24)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3,(H,21,22,24)