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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-methyl-6-(pyrrolidin-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-2-propan-2-yl-6-(1-pyrrolidinylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-methyl-6-(pyrrolidinomethyl)chromone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CN3CCCC3)C(=O)C(=C(O2)C(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(=CC(=C1O)CN3CCCC3)C(=O)C(=C(O2)C(C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N2O3S/c1-14(2)23-20(25-26-18-8-4-5-9-19(18)31-25)22(29)17-12-16(13-27-10-6-7-11-27)21(28)15(3)24(17)30-23/h4-5,8-9,12,14,28H,6-7,10-11,13H2,1-3H3