4-[[4-tert-butyl-3-(2-methylfuran-3-yl)carbonyl-3H-thiophen-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[4-tert-butyl-3-(2-methylfuran-3-yl)carbonyl-3H-thiophen-2-ylidene]amino]benzoic acid Openeye Name: 4-[[4-tert-butyl-3-(2-methylfuran-3-carbonyl)-3H-thiophen-2-ylidene]amino]benzoic acid CAS Name: 4-[[4-tert-butyl-3-[(2-methyl-3-furanyl)-oxomethyl]-3H-thiophen-2-ylidene]amino]benzoic acid IUPAC Name: 4-[[4-tert-butyl-3-(2-methylfuran-3-carbonyl)-3H-thiophen-2-ylidene]amino]benzoic acid Traditional Name: 4-[[4-tert-butyl-3-(2-methyl-3-furoyl)-3H-thiophen-2-ylidene]amino]benzoic acid Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C2C(=CSC2=NC3=CC=C(C=C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CO1)C(=O)C2C(=CSC2=NC3=CC=C(C=C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C21H21NO4S/c1-12-15(9-10-26-12)18(23)17-16(21(2,3)4)11-27-19(17)22-14-7-5-13(6-8-14)20(24)25/h5-11,17H,1-4H3,(H,24,25)