N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxy-propyl]-2-methyl-propan-2-amine; ethanedioic acid

Systemtic Name: N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxy-propyl]-2-methyl-propan-2-amine; ethanedioic acid Openeye Name: N-(2-methoxy-3-thiochroman-8-yloxy-propyl)-2-methyl-propan-2-amine; oxalic acid CAS Name: N-[3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-methoxypropyl]-2-methyl-2-propanamine; oxalic acid IUPAC Name: N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-2-methylpropan-2-amine; oxalic acid Traditional Name: tert-butyl-(2-methoxy-3-thiochroman-8-yloxy-propyl)amine; oxalic acid Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27NO2S.C2H2O4/c1-17(2,3)18-11-14(19-4)12-20-15-9-5-7-13-8-6-10-21-16(13)15;3-1(4)2(5)6/h5,7,9,14,18H,6,8,10-12H2,1-4H3;(H,3,4)(H,5,6)