4-(4-tert-butylphenyl)-2-(3-thiophen-2-ylprop-2-enoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-tert-butylphenyl)-2-(3-thiophen-2-ylprop-2-enoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-tert-butylphenyl)-2-[3-(2-thienyl)prop-2-enoylamino]thiophene-3-carboxylic acid CAS Name: 4-(4-tert-butylphenyl)-2-[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-tert-butylphenyl)-2-(3-thiophen-2-ylprop-2-enoylamino)thiophene-3-carboxylic acid Traditional Name: 4-(4-tert-butylphenyl)-2-[[3-(2-thienyl)acryloyl]amino]-3-thenoic acid Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C=CC3=CC=CS3

InChI

InChI=1S/C22H21NO3S2/c1-22(2,3)15-8-6-14(7-9-15)17-13-28-20(19(17)21(25)26)23-18(24)11-10-16-5-4-12-27-16/h4-13H,1-3H3,(H,23,24)(H,25,26)