2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4-(2-methylheptan-2-yl)phenol

Systemtic Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4-(2-methylheptan-2-yl)phenol Openeye Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4-(1,1-dimethylhexyl)phenol CAS Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4-(2-methylheptan-2-yl)phenol IUPAC Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4-(2-methylheptan-2-yl)phenol Traditional Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4-(1,1-dimethylhexyl)phenol Formula: C21H27NOS MolecularWeight: 341.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)O)C2NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)O)C2NC3=CC=CC=C3S2

InChI

InChI=1S/C21H27NOS/c1-4-5-8-13-21(2,3)15-11-12-18(23)16(14-15)20-22-17-9-6-7-10-19(17)24-20/h6-7,9-12,14,20,22-23H,4-5,8,13H2,1-3H3