6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methyl]pyridazin-3-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methyl]pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-(2-thenoyl)pyrrolidin-2-yl]methyl]pyridazin-3-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)CN3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)CN3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O4S/c25-20-8-6-16(14-5-7-17-18(11-14)28-13-27-17)22-24(20)12-15-3-1-9-23(15)21(26)19-4-2-10-29-19/h2,4-8,10-11,15H,1,3,9,12-13H2/t15-/m0/s1