3-(5-chloranyl-1-benzothiophen-3-yl)-4-[1-(2,2-diethoxyethyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(5-chloranyl-1-benzothiophen-3-yl)-4-[1-(2,2-diethoxyethyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(5-chlorobenzothiophen-3-yl)-4-[1-(2,2-diethoxyethyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(5-chloro-1-benzothiophen-3-yl)-4-[1-(2,2-diethoxyethyl)-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(5-chloro-1-benzothiophen-3-yl)-4-[1-(2,2-diethoxyethyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(5-chlorobenzothiophen-3-yl)-4-[1-(2,2-diethoxyethyl)indol-3-yl]-3-pyrroline-2,5-quinone Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CSC5=C4C=C(C=C5)Cl)OCC

Isomeric SMILES

CCOC(CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CSC5=C4C=C(C=C5)Cl)OCC

InChI

InChI=1S/C26H23ClN2O4S/c1-3-32-22(33-4-2)13-29-12-18(16-7-5-6-8-20(16)29)23-24(26(31)28-25(23)30)19-14-34-21-10-9-15(27)11-17(19)21/h5-12,14,22H,3-4,13H2,1-2H3,(H,28,30,31)