(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C20H23NO5S2/c1-13-5-7-21(8-6-13)20(27)28-12-19(23)25-11-14-9-18(22)26-17-10-15(24-2)3-4-16(14)17/h3-4,9-10,13H,5-8,11-12H2,1-2H3