3-(4-chlorophenyl)sulfanyl-4-[(2,4-dimethoxyphenyl)amino]-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-[(2,4-dimethoxyphenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-(2,4-dimethoxyanilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(2,4-dimethoxyanilino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(2,4-dimethoxyanilino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-4-(2,4-dimethoxyanilino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C26H23ClN2O4S/c1-32-19-10-13-21(22(16-19)33-2)28-23-24(34-20-11-8-18(27)9-12-20)26(31)29(25(23)30)15-14-17-6-4-3-5-7-17/h3-13,16,28H,14-15H2,1-2H3