[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C21H21N3O3S/c25-19(23-11-4-8-16-6-2-1-3-7-16)14-27-20(26)12-18-15-28-21(24-18)17-9-5-10-22-13-17/h1-3,5-7,9-10,13,15H,4,8,11-12,14H2,(H,23,25)