2-(2-methylprop-2-enyl)-2-(1-thiophen-2-ylbut-3-ynyl)indene-1,3-dione

Systemtic Name: 2-(2-methylprop-2-enyl)-2-(1-thiophen-2-ylbut-3-ynyl)indene-1,3-dione Openeye Name: 2-(2-methylallyl)-2-[1-(2-thienyl)but-3-ynyl]indane-1,3-dione CAS Name: 2-(2-methylprop-2-enyl)-2-(1-thiophen-2-ylbut-3-ynyl)indene-1,3-dione IUPAC Name: 2-(2-methylprop-2-enyl)-2-(1-thiophen-2-ylbut-3-ynyl)indene-1,3-dione Traditional Name: 2-(2-methylallyl)-2-[1-(2-thienyl)but-3-ynyl]indane-1,3-quinone Formula: C21H18O2S MolecularWeight: 334.43142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1(C(=O)C2=CC=CC=C2C1=O)C(CC#C)C3=CC=CS3

Isomeric SMILES

CC(=C)CC1(C(=O)C2=CC=CC=C2C1=O)C(CC#C)C3=CC=CS3

InChI

InChI=1S/C21H18O2S/c1-4-8-17(18-11-7-12-24-18)21(13-14(2)3)19(22)15-9-5-6-10-16(15)20(21)23/h1,5-7,9-12,17H,2,8,13H2,3H3