ethyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxopropyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28ClNO4S MolecularWeight: 486.02282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C26H28ClNO4S/c1-6-18-8-10-19(11-9-18)21-14-33-25(22(21)26(30)31-7-2)28-24(29)17(5)32-20-12-15(3)23(27)16(4)13-20/h8-14,17H,6-7H2,1-5H3,(H,28,29)