diethyl 5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C21H24ClNO6S/c1-4-27-20(24)17-12(3)18(21(25)28-5-2)23-16(17)10-30-9-14-7-15(22)6-13-8-26-11-29-19(13)14/h6-7,23H,4-5,8-11H2,1-3H3