1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-(2-thienyl)butane-1,4-dione Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCC(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23NO4S/c23-17(20-5-2-13-27-20)7-9-21(24)22-10-1-4-16(22)15-6-8-18-19(14-15)26-12-3-11-25-18/h2,5-6,8,13-14,16H,1,3-4,7,9-12H2/t16-/m0/s1