ethanedioic acid; 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide

Systemtic Name: ethanedioic acid; 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide Openeye Name: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide; oxalic acid CAS Name: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide; oxalic acid IUPAC Name: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide; oxalic acid Traditional Name: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide; oxalic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(CCCC2=C1)C(=S)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CN=C2C(CCCC2=C1)C(=S)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H14N2S.C2H2O4/c1-7-5-8-3-2-4-9(11(12)14)10(8)13-6-7;3-1(4)2(5)6/h5-6,9H,2-4H2,1H3,(H2,12,14);(H,3,4)(H,5,6)