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

Systemtic Name: methyl 2-[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[5-[(1-oxo-3-phenylpropyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-(hydrocinnamoylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S2/c1-29-19(28)15-9-5-6-10-16(15)22-18(27)13-30-21-25-24-20(31-21)23-17(26)12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,22,27)(H,23,24,26)