4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]-6,7-dimethyl-coumarin Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCC3C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC[C@@H]3C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C23H22N2O2S/c1-14-10-17-16(12-22(26)27-20(17)11-15(14)2)13-25-9-5-7-19(25)23-24-18-6-3-4-8-21(18)28-23/h3-4,6,8,10-12,19H,5,7,9,13H2,1-2H3/t19-/m1/s1