dimethyl 2-[(2E)-2-(3-butyl-5-phenyl-1,3-oxazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(2E)-2-(3-butyl-5-phenyl-1,3-oxazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(2E)-2-(3-butyl-5-phenyl-oxazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(2E)-2-(3-butyl-5-phenyl-2-oxazolylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2E)-2-(3-butyl-5-phenyl-1,3-oxazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(2E)-2-(3-butyl-5-phenyl-4-oxazolin-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(OC1=CC=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCN\1C=C(O/C1=C/C=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5S2/c1-4-5-13-23-14-16(15-9-7-6-8-10-15)28-17(23)11-12-18-29-19(21(24)26-2)20(30-18)22(25)27-3/h6-12,14H,4-5,13H2,1-3H3/b17-11+