3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methyl-propan-1-amine; oxalic acid CAS Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methyl-1-propanamine; oxalic acid IUPAC Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylpropan-1-amine; oxalic acid Traditional Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-methyl-amine; oxalic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19NOS.C2H2O4/c1-18-12-6-11-16-13-7-2-3-8-14(13)19-15-9-4-5-10-17(15)20-16;3-1(4)2(5)6/h2-5,7-10,16,18H,6,11-12H2,1H3;(H,3,4)(H,5,6)