N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N4O4S/c26-19(24-21(27)22-13-7-8-16-17(10-13)29-12-28-16)11-25-9-3-5-15(25)20-23-14-4-1-2-6-18(14)30-20/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H2,22,24,26,27)/t15-/m0/s1