3-[(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-6-isopropyl-3-[(4-methoxyphenyl)-(2-thioxo-1,3-benzoxazol-3-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-6-isopropyl-3-[(4-methoxyphenyl)-(2-thioxo-1,3-benzoxazol-3-yl)methyl]cyclohepta-2,4,6-trien-1-one Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)N3C4=CC=CC=C4OC3=S)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)N3C4=CC=CC=C4OC3=S)O

InChI

InChI=1S/C25H23NO4S/c1-15(2)17-10-13-19(24(28)21(27)14-17)23(16-8-11-18(29-3)12-9-16)26-20-6-4-5-7-22(20)30-25(26)31/h4-15,23H,1-3H3,(H,27,28)