2,3-bis(oxidanyl)butanedioic acid; 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide Openeye Name: 2,3-dihydroxybutanedioic acid; 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide CAS Name: 2,3-dihydroxybutanedioic acid; 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide IUPAC Name: 2,3-dihydroxybutanedioic acid; 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide Traditional Name: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide; tartaric acid Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2S.C4H6O6/c1-7-5-8-3-2-4-9(11(12)14)10(8)13-6-7;5-1(3(7)8)2(6)4(9)10/h5-6,9H,2-4H2,1H3,(H2,12,14);1-2,5-6H,(H,7,8)(H,9,10)