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

Systemtic Name: diethyl 2-[[(3-ethoxycarbonyl-4-methyl-5-phenyl-thiophen-2-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thienyl)amino]methylene]propanedioate CAS Name: 2-[[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thiophenyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(3-ethoxycarbonyl-4-methyl-5-phenylthiophen-2-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(3-carbethoxy-4-methyl-5-phenyl-2-thienyl)amino]methylene]malonic acid diethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H25NO6S/c1-5-27-20(24)16(21(25)28-6-2)13-23-19-17(22(26)29-7-3)14(4)18(30-19)15-11-9-8-10-12-15/h8-13,23H,5-7H2,1-4H3