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

Systemtic Name: methyl 2-(4-chloranylbutanoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(4-chlorobutanoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorobutanoylamino)-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO4S/c1-4-25-14-9-7-13(8-10-14)16-12(2)26-18(17(16)19(23)24-3)21-15(22)6-5-11-20/h7-10H,4-6,11H2,1-3H3,(H,21,22)