2-(3-methylbutanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate

Systemtic Name: 2-(3-methylbutanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Openeye Name: 4-(4-isopropylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-(4-propan-2-ylphenyl)-3-thiophenecarboxylate IUPAC Name: 2-(3-methylbutanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4-p-cumenyl-3-thenoate Formula: C19H22NO3S- MolecularWeight: 344.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C(C)C)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C(C)C)C(=O)[O-]

InChI

InChI=1S/C19H23NO3S/c1-11(2)9-16(21)20-18-17(19(22)23)15(10-24-18)14-7-5-13(6-8-14)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,20,21)(H,22,23)/p-1