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

Systemtic Name: 2-[[6-[ethyl-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[2-[ethyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-7-methoxy-tetralin-6-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[6-[ethyl-[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[6-[ethyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[2-[ethyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-7-methoxy-tetralin-6-yl]thio]-2-methyl-propionic acid Formula: C25H29F3N2O5S MolecularWeight: 526.56837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29F3N2O5S/c1-5-30(23(33)29-17-7-10-19(11-8-17)35-25(26,27)28)18-9-6-15-14-21(36-24(2,3)22(31)32)20(34-4)13-16(15)12-18/h7-8,10-11,13-14,18H,5-6,9,12H2,1-4H3,(H,29,33)(H,31,32)