1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-[[5-(o-phenetidino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H26N4O4S2/c1-2-30-19-8-4-3-6-17(19)25-23-26-27-24(34-23)33-15-22(29)28-11-5-7-18(28)16-9-10-20-21(14-16)32-13-12-31-20/h3-4,6,8-10,14,18H,2,5,7,11-13,15H2,1H3,(H,25,26)/t18-/m0/s1