2-methoxy-4-propan-2-yl-7-[3-(2-pyridin-2-ylethyl)-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-methoxy-4-propan-2-yl-7-[3-(2-pyridin-2-ylethyl)-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-2-methoxy-7-[3-[2-(2-pyridyl)ethyl]-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-methoxy-4-propan-2-yl-7-[3-[2-(2-pyridinyl)ethyl]-2H-1,3-benzothiazol-2-yl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-methoxy-4-propan-2-yl-7-[3-(2-pyridin-2-ylethyl)-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-2-methoxy-7-[3-[2-(2-pyridyl)ethyl]-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)OC)C2N(C3=CC=CC=C3S2)CCC4=CC=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OC)C2N(C3=CC=CC=C3S2)CCC4=CC=CC=N4

InChI

InChI=1S/C25H26N2O2S/c1-17(2)18-11-12-20(24(28)22(16-18)29-3)25-27(15-13-19-8-6-7-14-26-19)21-9-4-5-10-23(21)30-25/h4-12,14,16-17,25H,13,15H2,1-3H3