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

Systemtic Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCC3C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC[C@@H]3C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C23H22N2O3S/c1-2-14-10-16-15(11-22(27)28-20(16)12-19(14)26)13-25-9-5-7-18(25)23-24-17-6-3-4-8-21(17)29-23/h3-4,6,8,10-12,18,26H,2,5,7,9,13H2,1H3/t18-/m1/s1