(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-(2-pyridyl)thiazol-4-yl]methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-(2-pyridinyl)-4-thiazolyl]methyl ester IUPAC Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-(2-pyridyl)thiazol-4-yl]methyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CSC(=N2)C3=CC=CC=N3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CSC(=N2)C3=CC=CC=N3)OCC

InChI

InChI=1S/C21H21ClN2O4S/c1-3-9-27-19-16(22)10-14(11-18(19)26-4-2)21(25)28-12-15-13-29-20(24-15)17-7-5-6-8-23-17/h5-8,10-11,13H,3-4,9,12H2,1-2H3