2-(2-dimethylaminoethyl)-4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazepine-5-thione; ethanedioic acid

Systemtic Name: 2-(2-dimethylaminoethyl)-4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazepine-5-thione; ethanedioic acid Openeye Name: 2-(2-dimethylaminoethyl)-4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid CAS Name: 2-(2-dimethylaminoethyl)-4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid IUPAC Name: 2-(2-dimethylaminoethyl)-4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid Traditional Name: 2-(2-dimethylaminoethyl)-4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid Formula: C17H21F3N2O5S MolecularWeight: 422.41925

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C(C1=S)C=C(C=C2)C(F)(F)F)CCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CC(OC2=C(C1=S)C=C(C=C2)C(F)(F)F)CCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19F3N2OS.C2H2O4/c1-19(2)7-6-11-9-20(3)14(22)12-8-10(15(16,17)18)4-5-13(12)21-11;3-1(4)2(5)6/h4-5,8,11H,6-7,9H2,1-3H3;(H,3,4)(H,5,6)