1-[5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-thienyl]ethanone Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21NO4S/c1-13(22)18-7-8-19(26-18)20(23)21-9-2-4-15(21)14-5-6-16-17(12-14)25-11-3-10-24-16/h5-8,12,15H,2-4,9-11H2,1H3/t15-/m0/s1