(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C21H25NO4S2/c1-13-6-8-22(9-7-13)21(27)28-12-19(24)25-11-16-10-18(23)26-20-15(3)14(2)4-5-17(16)20/h4-5,10,13H,6-9,11-12H2,1-3H3