[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)CCNC(=O)C2=CC=CS2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)CCNC(=O)C2=CC=CS2)C)C

InChI

InChI=1S/C20H23NO4S/c1-12-10-14(3)16(11-13(12)2)19(23)15(4)25-18(22)7-8-21-20(24)17-6-5-9-26-17/h5-6,9-11,15H,7-8H2,1-4H3,(H,21,24)