6-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-(2-thienylmethylene)benzofuran-3-one CAS Name: 6-[2-(1-azepanyl)-2-oxoethoxy]-2-(thiophen-2-ylmethylidene)-3-benzofuranone IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethoxy]-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Traditional Name: 6-[2-(azepan-1-yl)-2-keto-ethoxy]-2-(2-thenylidene)coumaran-3-one Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CS4)O3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CS4)O3

InChI

InChI=1S/C21H21NO4S/c23-20(22-9-3-1-2-4-10-22)14-25-15-7-8-17-18(12-15)26-19(21(17)24)13-16-6-5-11-27-16/h5-8,11-13H,1-4,9-10,14H2