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

Systemtic Name: 4-(4-ethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-ethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylic acid CAS Name: 4-(4-ethylphenyl)-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-ethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylic acid Traditional Name: 4-(4-ethylphenyl)-2-(isovalerylamino)-3-thenoic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-4-12-5-7-13(8-6-12)14-10-23-17(16(14)18(21)22)19-15(20)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,19,20)(H,21,22)