2-(2,6-dimethylphenoxy)ethyl 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H23NO4S/c1-14-5-3-6-15(2)18(14)24-11-10-23-17(21)7-4-9-20-19(22)16-8-12-25-13-16/h3,5-6,8,12-13H,4,7,9-11H2,1-2H3,(H,20,22)