methyl 5-chloranyl-4-hexyl-2-[2-(3-phenoxyphenyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-chloranyl-4-hexyl-2-[2-(3-phenoxyphenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-chloro-4-hexyl-2-[[2-(3-phenoxyphenyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-chloro-4-hexyl-2-[[1-oxo-2-(3-phenoxyphenyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-4-hexyl-2-[[2-(3-phenoxyphenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-chloro-4-hexyl-2-[[2-(3-phenoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C26H28ClNO4S MolecularWeight: 486.02282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C26H28ClNO4S/c1-3-4-5-9-15-21-23(26(30)31-2)25(33-24(21)27)28-22(29)17-18-11-10-14-20(16-18)32-19-12-7-6-8-13-19/h6-8,10-14,16H,3-5,9,15,17H2,1-2H3,(H,28,29)