ethanedioic acid; [4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenyl-methanone Openeye Name: [4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenyl-methanone; oxalic acid CAS Name: [4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenylmethanone; oxalic acid IUPAC Name: [4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(methylaminomethyl)-3,4-dihydro-2H-thiopyran[2,3-b]indol-9-yl]-phenyl-methanone; oxalic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1CCSC2=C1C3=CC=CC=C3N2C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CNCC1CCSC2=C1C3=CC=CC=C3N2C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20N2OS.C2H2O4/c1-21-13-15-11-12-24-20-18(15)16-9-5-6-10-17(16)22(20)19(23)14-7-3-2-4-8-14;3-1(4)2(5)6/h2-10,15,21H,11-13H2,1H3;(H,3,4)(H,5,6)