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

Systemtic Name: 7-[1,1-bis(oxidanylidene)-3-phenethyl-2H-1,3-benzothiazol-2-yl]-2-methoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-(1,1-dioxo-3-phenethyl-2H-1,3-benzothiazol-2-yl)-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 7-(1,1-dioxo-3-phenethyl-2H-1,3-benzothiazol-2-yl)-2-methoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-(1,1-dioxo-3-phenethyl-2H-1,3-benzothiazol-2-yl)-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-(1,1-diketo-3-phenethyl-2H-1,3-benzothiazol-2-yl)-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one Formula: C26H27NO4S MolecularWeight: 449.56188

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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(=O)=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OC)C2N(C3=CC=CC=C3S2(=O)=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO4S/c1-18(2)20-13-14-21(25(28)23(17-20)31-3)26-27(16-15-19-9-5-4-6-10-19)22-11-7-8-12-24(22)32(26,29)30/h4-14,17-18,26H,15-16H2,1-3H3