ethyl 4-(4-ethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-(isovalerylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c1-5-14-7-9-15(10-8-14)16-12-25-19(18(16)20(23)24-6-2)21-17(22)11-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22)