N-[(3,5-dimethoxyphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine; ethanedioic acid

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine; ethanedioic acid Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]thiochroman-4-amine; oxalic acid CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine; oxalic acid IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine; oxalic acid Traditional Name: (3,5-dimethoxybenzyl)-thiochroman-4-yl-amine; oxalic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC2CCSC3=CC=CC=C23)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1)CNC2CCSC3=CC=CC=C23)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO2S.C2H2O4/c1-20-14-9-13(10-15(11-14)21-2)12-19-17-7-8-22-18-6-4-3-5-16(17)18;3-1(4)2(5)6/h3-6,9-11,17,19H,7-8,12H2,1-2H3;(H,3,4)(H,5,6)