2-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-1-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-1-thiophen-2-yl-butane-1,4-dione Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-1-(2-thienyl)butane-1,4-dione CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-1-thiophen-2-ylbutane-1,4-dione IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-1-thiophen-2-ylbutane-1,4-dione Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-1-(2-thienyl)butane-1,4-dione Formula: C21H15BrO4S MolecularWeight: 443.3104

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H15BrO4S/c22-15-6-3-13(4-7-15)17(23)11-16(21(24)20-2-1-9-27-20)14-5-8-18-19(10-14)26-12-25-18/h1-10,16H,11-12H2