methyl 3-[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[2-[2-(2-ethoxyphenyl)thiazol-4-yl]acetyl]amino]-4-fluoro-benzoate CAS Name: 3-[[2-[2-(2-ethoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-fluorobenzoate Traditional Name: 4-fluoro-3-[[2-(2-o-phenetylthiazol-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C21H19FN2O4S/c1-3-28-18-7-5-4-6-15(18)20-23-14(12-29-20)11-19(25)24-17-10-13(21(26)27-2)8-9-16(17)22/h4-10,12H,3,11H2,1-2H3,(H,24,25)