3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-chlorophenyl)thio]-1-(2-ethoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-[(4-chlorophenyl)thio]-1-o-phenetyl-3-pyrroline-2,5-quinone Formula: C24H25ClN2O3S MolecularWeight: 456.9849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4

InChI

InChI=1S/C24H25ClN2O3S/c1-2-30-20-10-6-5-9-19(20)27-23(28)21(26-15-7-3-4-8-16-26)22(24(27)29)31-18-13-11-17(25)12-14-18/h5-6,9-14H,2-4,7-8,15-16H2,1H3