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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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