(2,3,6-trimethylphenyl) 4-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (2,3,6-trimethylphenyl) 4-(thiophene-2-carbonylamino)butanoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-(thiophene-2-carbonylamino)butanoate Traditional Name: 4-(2-thenoylamino)butyric acid (2,3,6-trimethylphenyl) ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCCNC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CCCNC(=O)C2=CC=CS2)C

InChI

InChI=1S/C18H21NO3S/c1-12-8-9-13(2)17(14(12)3)22-16(20)7-4-10-19-18(21)15-6-5-11-23-15/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,19,21)