2-[2-(azetidin-1-yl)ethyl]-7-chloranyl-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; ethanedioic acid

Systemtic Name: 2-[2-(azetidin-1-yl)ethyl]-7-chloranyl-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; ethanedioic acid Openeye Name: 2-[2-(azetidin-1-yl)ethyl]-7-chloro-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid CAS Name: 2-[2-(1-azetidinyl)ethyl]-7-chloro-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid IUPAC Name: 2-[2-(azetidin-1-yl)ethyl]-7-chloro-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid Traditional Name: 2-[2-(azetidin-1-yl)ethyl]-7-chloro-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C(C1=S)C=C(C=C2)Cl)CCN3CCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CC(OC2=C(C1=S)C=C(C=C2)Cl)CCN3CCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19ClN2OS.C2H2O4/c1-17-10-12(5-8-18-6-2-7-18)19-14-4-3-11(16)9-13(14)15(17)20;3-1(4)2(5)6/h3-4,9,12H,2,5-8,10H2,1H3;(H,3,4)(H,5,6)