ethyl 2-(4-chloranylbutanoylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(4-chloranylbutanoylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(4-chlorobutanoylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorobutanoylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H22ClNO5S MolecularWeight: 411.89968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)CCCCl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)CCCCl

InChI

InChI=1S/C19H22ClNO5S/c1-4-26-19(23)17-13(11-27-18(17)21-16(22)6-5-9-20)12-7-8-14(24-2)15(10-12)25-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)