ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2,5-dimethylphenoxy)-1-oxobutyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C27H31NO4S/c1-5-20-11-13-21(14-12-20)22-17-33-26(25(22)27(30)31-6-2)28-24(29)8-7-15-32-23-16-18(3)9-10-19(23)4/h9-14,16-17H,5-8,15H2,1-4H3,(H,28,29)