3-[[1-(4-cyanophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[1-(4-cyanophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-(4-cyanophenyl)-1,1-dimethyl-2-oxo-ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[1-(4-cyanophenyl)-2-methyl-1-oxopropan-2-yl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[1-(4-cyanophenyl)-2-methyl-1-oxopropan-2-yl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-(4-cyanophenyl)-2-keto-1,1-dimethyl-ethyl]amino]-5-phenyl-2-thenoic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)C#N)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)C#N)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H18N2O3S/c1-22(2,20(25)16-10-8-14(13-23)9-11-16)24-17-12-18(28-19(17)21(26)27)15-6-4-3-5-7-15/h3-12,24H,1-2H3,(H,26,27)