2-[[6-[ethyl-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]-3-fluoranyl-1-methanoyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[[6-[ethyl-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]-3-fluoranyl-1-methanoyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[2-[ethyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-7-fluoro-5-formyl-tetralin-6-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[6-[ethyl-[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]-3-fluoro-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[6-[ethyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-3-fluoro-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[2-[ethyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-7-fluoro-5-formyl-tetralin-6-yl]thio]-2-methyl-propionic acid Formula: C25H26F4N2O5S MolecularWeight: 542.542953

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCC2=C(C(=C(C=C2C1)F)SC(C)(C)C(=O)O)C=O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCN(C1CCC2=C(C(=C(C=C2C1)F)SC(C)(C)C(=O)O)C=O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C25H26F4N2O5S/c1-4-31(23(35)30-15-5-8-17(9-6-15)36-25(27,28)29)16-7-10-18-14(11-16)12-20(26)21(19(18)13-32)37-24(2,3)22(33)34/h5-6,8-9,12-13,16H,4,7,10-11H2,1-3H3,(H,30,35)(H,33,34)