diethyl 2-[[5-[bis(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[5-[bis(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[5-[bis(1H-pyrrol-2-yl)methyl]-2-thienyl]methylene]propanedioate CAS Name: 2-[[5-[bis(1H-pyrrol-2-yl)methyl]-2-thiophenyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-[bis(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methylidene]propanedioate Traditional Name: 2-[[5-[bis(1H-pyrrol-2-yl)methyl]-2-thienyl]methylene]malonic acid diethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(S1)C(C2=CC=CN2)C3=CC=CN3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CC=C(S1)C(C2=CC=CN2)C3=CC=CN3)C(=O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-3-26-20(24)15(21(25)27-4-2)13-14-9-10-18(28-14)19(16-7-5-11-22-16)17-8-6-12-23-17/h5-13,19,22-23H,3-4H2,1-2H3