2-(2,2-diethoxyethyl)-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione

Systemtic Name: 2-(2,2-diethoxyethyl)-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione Openeye Name: 2-(2,2-diethoxyethyl)-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione CAS Name: 2-(2,2-diethoxyethyl)-5-(methylthio)-10H-pyrrolo[3,4-a]carbazole-1,3-dione IUPAC Name: 2-(2,2-diethoxyethyl)-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione Traditional Name: 2-(2,2-diethoxyethyl)-5-(methylthio)-10H-pyrrolo[3,4-a]carbazole-1,3-quinone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=O)C2=CC(=C3C4=CC=CC=C4NC3=C2C1=O)SC)OCC

Isomeric SMILES

CCOC(CN1C(=O)C2=CC(=C3C4=CC=CC=C4NC3=C2C1=O)SC)OCC

InChI

InChI=1S/C21H22N2O4S/c1-4-26-16(27-5-2)11-23-20(24)13-10-15(28-3)17-12-8-6-7-9-14(12)22-19(17)18(13)21(23)25/h6-10,16,22H,4-5,11H2,1-3H3