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

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CC(C)C

InChI

InChI=1S/C20H25NO4S/c1-5-24-15-9-7-14(8-10-15)16-12-26-19(18(16)20(23)25-6-2)21-17(22)11-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22)