4-[[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]amino]methyl]-7,8-dimethyl-coumarin Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNCC(C3=CC=CS3)N(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC[C@H](C3=CC=CS3)N(C)C)C

InChI

InChI=1S/C20H24N2O2S/c1-13-7-8-16-15(10-19(23)24-20(16)14(13)2)11-21-12-17(22(3)4)18-6-5-9-25-18/h5-10,17,21H,11-12H2,1-4H3/t17-/m1/s1