(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(2-pyridyl)thiazol-4-yl]methyl (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(2-pyridinyl)-4-thiazolyl]methyl ester IUPAC Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid [2-(2-pyridyl)thiazol-4-yl]methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CSC(=N2)C3=CC=CC=N3)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CSC(=N2)C3=CC=CC=N3)OCC(=O)N

InChI

InChI=1S/C21H19N3O5S/c1-27-18-10-14(5-7-17(18)28-12-19(22)25)6-8-20(26)29-11-15-13-30-21(24-15)16-4-2-3-9-23-16/h2-10,13H,11-12H2,1H3,(H2,22,25)/b8-6+