diethyl 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyano-ethenyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyano-ethenyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyano-vinyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyano-vinyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C(C#N)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N/C=C(\C#N)/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H19N3O5S/c1-4-27-20(25)16-12(3)17(21(26)28-5-2)30-19(16)23-11-13(10-22)18-24-14-8-6-7-9-15(14)29-18/h6-9,11,23H,4-5H2,1-3H3/b13-11+