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

Systemtic Name: ethyl 4-(4-butylphenyl)-2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-butylphenyl)-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-butylphenyl)-2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butylphenyl)-2-[4-(4-chloro-2-methylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-butylphenyl)-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H32ClNO4S MolecularWeight: 514.07598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C28H32ClNO4S/c1-4-6-8-20-10-12-21(13-11-20)23-18-35-27(26(23)28(32)33-5-2)30-25(31)9-7-16-34-24-15-14-22(29)17-19(24)3/h10-15,17-18H,4-9,16H2,1-3H3,(H,30,31)