ethyl 2-[4-(4-chloranylphenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranylphenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenoxy)butanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

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