S-propyl 5-methyl-7-oxidanylidene-5-(6-propylsulfanylcarbonylpyridin-2-yl)furo[3,4-b]pyridine-2-carbothioate

Systemtic Name: S-propyl 5-methyl-7-oxidanylidene-5-(6-propylsulfanylcarbonylpyridin-2-yl)furo[3,4-b]pyridine-2-carbothioate Openeye Name: S-propyl 5-methyl-7-oxo-5-(6-propylsulfanylcarbonyl-2-pyridyl)furo[3,4-b]pyridine-2-carbothioate CAS Name: 5-methyl-7-oxo-5-[6-[oxo-(propylthio)methyl]-2-pyridinyl]-2-furo[3,4-b]pyridinecarbothioic acid S-propyl ester IUPAC Name: S-propyl 5-methyl-7-oxo-5-(6-propylsulfanylcarbonylpyridin-2-yl)furo[3,4-b]pyridine-2-carbothioate Traditional Name: 7-keto-5-methyl-5-[6-(propylthio)carbonyl-2-pyridyl]furo[3,4-b]pyridine-2-carbothioic acid S-propyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1=NC(=CC=C1)C2(C3=C(C(=O)O2)N=C(C=C3)C(=O)SCCC)C

Isomeric SMILES

CCCSC(=O)C1=NC(=CC=C1)C2(C3=C(C(=O)O2)N=C(C=C3)C(=O)SCCC)C

InChI

InChI=1S/C21H22N2O4S2/c1-4-11-28-19(25)14-7-6-8-16(22-14)21(3)13-9-10-15(20(26)29-12-5-2)23-17(13)18(24)27-21/h6-10H,4-5,11-12H2,1-3H3