3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-6-(pyrrolidin-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-6-(pyrrolidin-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-(pyrrolidin-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-(1-pyrrolidinylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-(pyrrolidin-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-(pyrrolidinomethyl)chromone Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CN3CCCC3)C(=O)C(=CO2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(=CC(=C1O)CN3CCCC3)C(=O)C(=CO2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N2O3S/c1-13-19(25)14(11-24-8-4-5-9-24)10-15-20(26)16(12-27-21(13)15)22-23-17-6-2-3-7-18(17)28-22/h2-3,6-7,10,12,25H,4-5,8-9,11H2,1H3