[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCNC(=O)C2=CSC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCNC(=O)C2=CSC=C2)C

InChI

InChI=1S/C19H21NO4S/c1-13-5-6-15(10-14(13)2)17(21)11-24-18(22)4-3-8-20-19(23)16-7-9-25-12-16/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,20,23)