methyl 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]amino]butanoate

Systemtic Name: methyl 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]amino]butanoate Openeye Name: methyl 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]amino]butanoate CAS Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]amino]butanoate Traditional Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]amino]butyric acid methyl ester Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)NC1=NSC(=N1)S(=O)(=O)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC(CC(=O)OC)NC1=NSC(=N1)S(=O)(=O)CC2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H19N3O6S2/c1-10(7-14(20)23-2)17-15-18-16(26-19-15)27(21,22)9-11-8-24-12-5-3-4-6-13(12)25-11/h3-6,10-11H,7-9H2,1-2H3,(H,17,19)