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

Systemtic Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2,3-dimethylphenoxy)-1-oxobutyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC=CC(=C3C)C

InChI

InChI=1S/C27H31NO5S/c1-5-31-21-14-12-20(13-15-21)22-17-34-26(25(22)27(30)32-6-2)28-24(29)11-8-16-33-23-10-7-9-18(3)19(23)4/h7,9-10,12-15,17H,5-6,8,11,16H2,1-4H3,(H,28,29)