1-(5-chloranyl-2-methoxy-phenyl)-3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-pyrrole-2,5-dione

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-pyrrole-2,5-dione Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-morpholino-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[(4-methylphenyl)thio]-4-(4-morpholinyl)pyrrole-2,5-dione IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-morpholin-4-ylpyrrole-2,5-dione Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-morpholino-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC)N4CCOCC4

InChI

InChI=1S/C22H21ClN2O4S/c1-14-3-6-16(7-4-14)30-20-19(24-9-11-29-12-10-24)21(26)25(22(20)27)17-13-15(23)5-8-18(17)28-2/h3-8,13H,9-12H2,1-2H3