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

Systemtic Name: 2-[[5-[[3-(3-chlorophenyl)-2-fluoranyl-4-methoxy-phenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]ethanoic acid Openeye Name: 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxy-phenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]acetic acid CAS Name: 2-[[[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]acetic acid Traditional Name: 2-[[5-[3-(3-chlorophenyl)-2-fluoro-4-methoxy-benzyl]-2,5-dihydro-1,3,4-thiadiazol-2-yl]carbamoylamino]acetic acid Formula: C19H18ClFN4O4S MolecularWeight: 452.887023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC2N=NC(S2)NC(=O)NCC(=O)O)F)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)CC2N=NC(S2)NC(=O)NCC(=O)O)F)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H18ClFN4O4S/c1-29-13-6-5-11(17(21)16(13)10-3-2-4-12(20)7-10)8-14-24-25-19(30-14)23-18(28)22-9-15(26)27/h2-7,14,19H,8-9H2,1H3,(H,26,27)(H2,22,23,28)