3-(1,3-benzothiazol-2-yl)-6-[[bis(2-methylpropyl)amino]methyl]-2-ethyl-8-methyl-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-[[bis(2-methylpropyl)amino]methyl]-2-ethyl-8-methyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-[(diisobutylamino)methyl]-2-ethyl-7-hydroxy-8-methyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-[[bis(2-methylpropyl)amino]methyl]-2-ethyl-7-hydroxy-8-methyl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-[[bis(2-methylpropyl)amino]methyl]-2-ethyl-7-hydroxy-8-methylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-[(diisobutylamino)methyl]-2-ethyl-7-hydroxy-8-methyl-chromone Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN(CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN(CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C28H34N2O3S/c1-7-22-24(28-29-21-10-8-9-11-23(21)34-28)26(32)20-12-19(25(31)18(6)27(20)33-22)15-30(13-16(2)3)14-17(4)5/h8-12,16-17,31H,7,13-15H2,1-6H3