4-(2,4-dimethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(2,4-dimethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(2,4-dimethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylic acid CAS Name: 4-(2,4-dimethylphenyl)-2-[(2-methyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(2,4-dimethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylic acid Traditional Name: 4-(2,4-dimethylphenyl)-2-(isobutyrylamino)-3-thenoic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C(C)C)C

InChI

InChI=1S/C17H19NO3S/c1-9(2)15(19)18-16-14(17(20)21)13(8-22-16)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,18,19)(H,20,21)