methyl 3-[[2-[(2-ethanoyl-4-fluoranyl-phenoxy)methyl]morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(2-ethanoyl-4-fluoranyl-phenoxy)methyl]morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(2-acetyl-4-fluoro-phenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[[2-[(2-acetyl-4-fluorophenoxy)methyl]-4-morpholinyl]-sulfanylidenemethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[[2-[(2-acetyl-4-fluoro-phenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C21H23FN2O5S2 MolecularWeight: 466.546123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=C(C=C(C=C3)F)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=C(C=C(C=C3)F)C(=O)C)C(=O)OC

InChI

InChI=1S/C21H23FN2O5S2/c1-12-11-31-19(20(26)27-3)18(12)23-21(30)24-6-7-28-15(9-24)10-29-17-5-4-14(22)8-16(17)13(2)25/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,23,30)