[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CCNC(=O)C2=CSC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CCNC(=O)C2=CSC=C2)C)C

InChI

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