3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-p-phenetyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H26N2O3S/c1-3-33-23-12-10-22(11-13-23)30-27(31)25(29-17-16-20-6-4-5-7-21(20)18-29)26(28(30)32)34-24-14-8-19(2)9-15-24/h4-15H,3,16-18H2,1-2H3