diethyl 2-[[(3-ethoxycarbonyl-5-pyridin-4-yl-thiophen-2-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(3-ethoxycarbonyl-5-pyridin-4-yl-thiophen-2-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[3-ethoxycarbonyl-5-(4-pyridyl)-2-thienyl]amino]methylene]propanedioate CAS Name: 2-[[(3-ethoxycarbonyl-5-pyridin-4-yl-2-thiophenyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(3-ethoxycarbonyl-5-pyridin-4-ylthiophen-2-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[3-carbethoxy-5-(4-pyridyl)-2-thienyl]amino]methylene]malonic acid diethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=NC=C2)NC=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=NC=C2)NC=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H22N2O6S/c1-4-26-18(23)14-11-16(13-7-9-21-10-8-13)29-17(14)22-12-15(19(24)27-5-2)20(25)28-6-3/h7-12,22H,4-6H2,1-3H3