6,7-dimethyl-4-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]methyl]-6,7-dimethyl-coumarin Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)CSCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C20H25NO3S/c1-13-5-4-6-21(10-13)19(22)12-25-11-16-9-20(23)24-18-8-15(3)14(2)7-17(16)18/h7-9,13H,4-6,10-12H2,1-3H3/t13-/m1/s1