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

Systemtic Name: ethyl 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26ClNO4S MolecularWeight: 471.99624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CCCOC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CCCOC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C25H26ClNO4S/c1-4-30-25(29)20-15-21(18-9-6-5-7-10-18)32-24(20)27-22(28)11-8-12-31-19-13-16(2)23(26)17(3)14-19/h5-7,9-10,13-15H,4,8,11-12H2,1-3H3,(H,27,28)