O4-ethyl O1,O2-dimethyl (E)-4-cyano-3-thiophen-2-yl-but-1-ene-1,2,4-tricarboxylate

Systemtic Name: O4-ethyl O1,O2-dimethyl (E)-4-cyano-3-thiophen-2-yl-but-1-ene-1,2,4-tricarboxylate Openeye Name: O4-ethyl O1,O2-dimethyl (E)-4-cyano-3-(2-thienyl)but-1-ene-1,2,4-tricarboxylate CAS Name: (E)-4-cyano-3-thiophen-2-yl-1-butene-1,2,4-tricarboxylic acid O4-ethyl ester O1,O2-dimethyl ester IUPAC Name: 4-O-ethyl 1-O,2-O-dimethyl (E)-4-cyano-3-thiophen-2-ylbut-1-ene-1,2,4-tricarboxylate Traditional Name: (E)-4-cyano-3-(2-thienyl)but-1-ene-1,2,4-tricarboxylic acid O4-ethyl ester O1,O2-dimethyl ester Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=CC=CS1)C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C(C#N)C(C1=CC=CS1)/C(=C\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C16H17NO6S/c1-4-23-16(20)11(9-17)14(12-6-5-7-24-12)10(15(19)22-3)8-13(18)21-2/h5-8,11,14H,4H2,1-3H3/b10-8+