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

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-14(25)23-10-15-4-6-16(7-5-15)19(26)12-28-20(27)9-18-13-29-21(24-18)17-3-2-8-22-11-17/h2-8,11,13H,9-10,12H2,1H3,(H,23,25)