3-(thiophen-2-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(thiophen-2-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(2-thienylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(thiophen-2-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(thiophen-2-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(2-thenylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)NCC3=CC=CS3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)NCC3=CC=CS3)C)C

InChI

InChI=1S/C18H17NO2S/c1-10-7-12(3)14(8-11(10)2)15-16(18(21)17(15)20)19-9-13-5-4-6-22-13/h4-8,19H,9H2,1-3H3