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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C18H19NO4S/c1-12-3-4-13(2)15(9-12)16(20)10-23-17(21)5-7-19-18(22)14-6-8-24-11-14/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,19,22)