methyl (3E)-3-[4-(3,4-diethoxyphenyl)-3H-1,3-thiazol-2-ylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl (3E)-3-[4-(3,4-diethoxyphenyl)-3H-1,3-thiazol-2-ylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl (3E)-3-[4-(3,4-diethoxyphenyl)-3H-thiazol-2-ylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: (3E)-3-[4-(3,4-diethoxyphenyl)-3H-thiazol-2-ylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl (3E)-3-[4-(3,4-diethoxyphenyl)-3H-1,3-thiazol-2-ylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: (3E)-3-[4-(3,4-diethoxyphenyl)-4-thiazolin-2-ylidene]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CSC(=C3C=CC(=O)C(=C3)C(=O)OC)N2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CS/C(=C/3\C=CC(=O)C(=C3)C(=O)OC)/N2)OCC

InChI

InChI=1S/C21H21NO5S/c1-4-26-18-9-7-13(11-19(18)27-5-2)16-12-28-20(22-16)14-6-8-17(23)15(10-14)21(24)25-3/h6-12,22H,4-5H2,1-3H3/b20-14+