ethanedioic acid; N-[(2,4,6-trimethoxyphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: ethanedioic acid; N-[(2,4,6-trimethoxyphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: oxalic acid; N-[(2,4,6-trimethoxyphenyl)methyl]thiochroman-4-amine CAS Name: oxalic acid; N-[(2,4,6-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: oxalic acid; N-[(2,4,6-trimethoxyphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: oxalic acid; thiochroman-4-yl-(2,4,6-trimethoxybenzyl)amine Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3S.C2H2O4/c1-21-13-10-17(22-2)15(18(11-13)23-3)12-20-16-8-9-24-19-7-5-4-6-14(16)19;3-1(4)2(5)6/h4-7,10-11,16,20H,8-9,12H2,1-3H3;(H,3,4)(H,5,6)