ethyl 2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-3-methylphenoxy)butanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO4S/c1-4-15-12-16(20(24)25-5-2)19(27-15)22-18(23)7-6-10-26-14-8-9-17(21)13(3)11-14/h8-9,11-12H,4-7,10H2,1-3H3,(H,22,23)