N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c23-19(13-21-20(24)18-5-2-11-27-18)22-8-1-4-15(22)14-6-7-16-17(12-14)26-10-3-9-25-16/h2,5-7,11-12,15H,1,3-4,8-10,13H2,(H,21,24)/t15-/m0/s1