methyl 4-(4-ethoxyphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CC(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CC(C)C)C

InChI

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