1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone

Systemtic Name: 1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 1-(2-thiazol-2-ylpyrrolidin-1-yl)-2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[2-(2-thiazolyl)-1-pyrrolidinyl]-2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 1-(2-thiazol-2-ylpyrrolidino)-2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)C5=NC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)C5=NC=CS5

InChI

InChI=1S/C22H23N3O2S2/c26-21(25-9-3-5-18(25)22-23-8-11-29-22)14-24-12-16-4-1-2-6-19(16)27-20(13-24)17-7-10-28-15-17/h1-2,4,6-8,10-11,15,18,20H,3,5,9,12-14H2