ethyl 5-methyl-4-phenyl-2-[4-(4-propylphenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[4-(4-propylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[4-(4-propylphenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-4-(4-propylphenoxy)butyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[4-(4-propylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[4-(4-propylphenoxy)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H31NO4S/c1-4-10-20-14-16-22(17-15-20)32-18-9-13-23(29)28-26-25(27(30)31-5-2)24(19(3)33-26)21-11-7-6-8-12-21/h6-8,11-12,14-17H,4-5,9-10,13,18H2,1-3H3,(H,28,29)