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

Systemtic Name: 2-methoxy-4-propan-2-yl-7-[3-(quinolin-2-ylmethyl)-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-2-methoxy-7-[3-(2-quinolylmethyl)-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-methoxy-4-propan-2-yl-7-[3-(2-quinolinylmethyl)-2H-1,3-benzothiazol-2-yl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-methoxy-4-propan-2-yl-7-[3-(quinolin-2-ylmethyl)-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-2-methoxy-7-[3-(2-quinolylmethyl)-2H-1,3-benzothiazol-2-yl]cyclohepta-2,4,6-trien-1-one Formula: C28H26N2O2S MolecularWeight: 454.58324

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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)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OC)C2N(C3=CC=CC=C3S2)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H26N2O2S/c1-18(2)20-13-15-22(27(31)25(16-20)32-3)28-30(24-10-6-7-11-26(24)33-28)17-21-14-12-19-8-4-5-9-23(19)29-21/h4-16,18,28H,17H2,1-3H3