3-[[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-(3,4-dimethylphenyl)-2-oxo-ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]amino]-5-phenyl-2-thenoic acid Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CNC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CNC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H19NO3S/c1-13-8-9-16(10-14(13)2)18(23)12-22-17-11-19(26-20(17)21(24)25)15-6-4-3-5-7-15/h3-11,22H,12H2,1-2H3,(H,24,25)