ethanedioic acid; N-methyl-1-(9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methanamine

Systemtic Name: ethanedioic acid; N-methyl-1-(9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methanamine Openeye Name: N-methyl-1-(9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methanamine; oxalic acid CAS Name: N-methyl-1-(9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methanamine; oxalic acid IUPAC Name: N-methyl-1-(9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methanamine; oxalic acid Traditional Name: methyl-[(9-methyl-3,4-dihydro-2H-thiopyran[2,3-b]indol-4-yl)methyl]amine; oxalic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2S.C2H2O4/c1-15-9-10-7-8-17-14-13(10)11-5-3-4-6-12(11)16(14)2;3-1(4)2(5)6/h3-6,10,15H,7-9H2,1-2H3;(H,3,4)(H,5,6)