ethanedioic acid; 2-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol

Systemtic Name: ethanedioic acid; 2-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: oxalic acid; 2-[(2-thienylmethylamino)methyl]chroman-7-ol CAS Name: oxalic acid; 2-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: oxalic acid; 2-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: oxalic acid; 2-[(2-thenylamino)methyl]chroman-7-ol Formula: C17H19NO6S MolecularWeight: 365.40086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CNCC3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)OC1CNCC3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17NO2S.C2H2O4/c17-12-5-3-11-4-6-13(18-15(11)8-12)9-16-10-14-2-1-7-19-14;3-1(4)2(5)6/h1-3,5,7-8,13,16-17H,4,6,9-10H2;(H,3,4)(H,5,6)