4-(4-ethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C(C)C

InChI

InChI=1S/C17H19NO3S/c1-4-11-5-7-12(8-6-11)13-9-22-16(14(13)17(20)21)18-15(19)10(2)3/h5-10H,4H2,1-3H3,(H,18,19)(H,20,21)