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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-1-p-phenetyl-3-pyrroline-2,5-quinone Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O3S/c1-2-32-22-14-12-21(13-15-22)29-26(30)24(25(27(29)31)33-23-10-4-3-5-11-23)28-17-16-19-8-6-7-9-20(19)18-28/h3-15H,2,16-18H2,1H3