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

Systemtic Name: 2-methoxy-7-[3-(phenylmethyl)-2H-1,3-benzothiazol-2-yl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-(3-benzyl-2H-1,3-benzothiazol-2-yl)-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 2-methoxy-7-[3-(phenylmethyl)-2H-1,3-benzothiazol-2-yl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-(3-benzyl-2H-1,3-benzothiazol-2-yl)-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-(3-benzyl-2H-1,3-benzothiazol-2-yl)-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one Formula: C25H25NO2S MolecularWeight: 403.5365

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO2S/c1-17(2)19-13-14-20(24(27)22(15-19)28-3)25-26(16-18-9-5-4-6-10-18)21-11-7-8-12-23(21)29-25/h4-15,17,25H,16H2,1-3H3