[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H21NO4S/c1-3-14-4-6-15(7-5-14)18(22)13(2)24-17(21)8-10-20-19(23)16-9-11-25-12-16/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,20,23)