ethyl 5-ethyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCOC2=CC(=C(C=C2)C(C)C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCOC2=CC(=C(C=C2)C(C)C)C)C(=O)OCC

InChI

InChI=1S/C23H31NO4S/c1-6-18-14-20(23(26)27-7-2)22(29-18)24-21(25)9-8-12-28-17-10-11-19(15(3)4)16(5)13-17/h10-11,13-15H,6-9,12H2,1-5H3,(H,24,25)