ethanedioate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)aniline

Systemtic Name: ethanedioate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)aniline Openeye Name: oxalate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)aniline CAS Name: oxalate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)aniline IUPAC Name: oxalate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)aniline Traditional Name: oxalate; phenyl(2,3,4,9-tetrahydrothiopyran[2,3-b]indol-4-ylmethyl)amine Formula: C20H18N2O4S-2 MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1CNC3=CC=CC=C3)C4=CC=CC=C4N2.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CSC2=C(C1CNC3=CC=CC=C3)C4=CC=CC=C4N2.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H18N2S.C2H2O4/c1-2-6-14(7-3-1)19-12-13-10-11-21-18-17(13)15-8-4-5-9-16(15)20-18;3-1(4)2(5)6/h1-9,13,19-20H,10-12H2;(H,3,4)(H,5,6)/p-2