1-(azepan-1-yl)-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-(azepan-1-yl)-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-(azepan-1-yl)-4-(2-thienyl)butane-1,4-dione CAS Name: 1-(1-azepanyl)-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-(azepan-1-yl)-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-(azepan-1-yl)-4-(2-thienyl)butane-1,4-dione Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C14H19NO2S/c16-12(13-6-5-11-18-13)7-8-14(17)15-9-3-1-2-4-10-15/h5-6,11H,1-4,7-10H2