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

Systemtic Name: methyl 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(1-oxo-3-phenylpropyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(hydrocinnamoylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O3S2/c1-20-12(19)9-21-14-17-16-13(22-14)15-11(18)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,16,18)