ethyl 3-[[5-[[3-(3-chlorophenyl)-2-fluoranyl-4-methoxy-phenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoate

Systemtic Name: ethyl 3-[[5-[[3-(3-chlorophenyl)-2-fluoranyl-4-methoxy-phenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoate Openeye Name: ethyl 3-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxy-phenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoate CAS Name: 3-[[[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoate Traditional Name: 3-[[5-[3-(3-chlorophenyl)-2-fluoro-4-methoxy-benzyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]propionic acid ethyl ester Formula: C22H24ClFN4O4S MolecularWeight: 494.966763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)NC1N=NC(S1)CC2=C(C(=C(C=C2)OC)C3=CC(=CC=C3)Cl)F

Isomeric SMILES

CCOC(=O)CCNC(=O)NC1N=NC(S1)CC2=C(C(=C(C=C2)OC)C3=CC(=CC=C3)Cl)F

InChI

InChI=1S/C22H24ClFN4O4S/c1-3-32-18(29)9-10-25-21(30)26-22-28-27-17(33-22)12-14-7-8-16(31-2)19(20(14)24)13-5-4-6-15(23)11-13/h4-8,11,17,22H,3,9-10,12H2,1-2H3,(H2,25,26,30)