2-[2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrrol-1-yl]ethanoate

Systemtic Name: 2-[2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrrol-1-yl]ethanoate Openeye Name: 2-[2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrrol-1-yl]acetate CAS Name: 2-[2-[[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-1-pyrrolyl]acetate IUPAC Name: 2-[2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrrol-1-yl]acetate Traditional Name: 2-[2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrrol-1-yl]acetate Formula: C15H18N5O2S- MolecularWeight: 332.40072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N=CC3=CC=CN3CC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N=CC3=CC=CN3CC(=O)[O-]

InChI

InChI=1S/C15H19N5O2S/c21-13(22)11-20-9-5-6-12(20)10-16-14-17-18-15(23-14)19-7-3-1-2-4-8-19/h5-6,9-10H,1-4,7-8,11H2,(H,21,22)/p-1