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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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