[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CS2

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC=CS2

InChI

InChI=1S/C20H22N2O5S/c1-14(23)21-10-2-4-15-6-8-16(9-7-15)17(24)13-27-19(25)12-22-20(26)18-5-3-11-28-18/h3,5-9,11H,2,4,10,12-13H2,1H3,(H,21,23)(H,22,26)