5-[5-(4-bromanyl-2-methyl-phenyl)pent-4-ynyl]-5-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[5-(4-bromanyl-2-methyl-phenyl)pent-4-ynyl]-5-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[5-(4-bromo-2-methyl-phenyl)pent-4-ynyl]-5-(4-ethoxyphenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[5-(4-bromo-2-methylphenyl)pent-4-ynyl]-5-(4-ethoxyphenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[5-(4-bromo-2-methylphenyl)pent-4-ynyl]-5-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[5-(4-bromo-2-methyl-phenyl)pent-4-ynyl]-5-p-phenetylsulfonyl-thiazolidine-2,4-quinone Formula: C23H22BrNO5S2 MolecularWeight: 536.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)C2(C(=O)NC(=O)S2)CCCC#CC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)C2(C(=O)NC(=O)S2)CCCC#CC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C23H22BrNO5S2/c1-3-30-19-10-12-20(13-11-19)32(28,29)23(21(26)25-22(27)31-23)14-6-4-5-7-17-8-9-18(24)15-16(17)2/h8-13,15H,3-4,6,14H2,1-2H3,(H,25,26,27)