dimethyl 2-[(2E)-2-(3-pentyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(2E)-2-(3-pentyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(2E)-2-(3-pentyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(2E)-2-(3-pentyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2E)-2-(3-pentyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(2E)-2-(3-amyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C21H23NO4S3 MolecularWeight: 449.60662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2SC1=CC=C3SC(=C(S3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCN\1C2=CC=CC=C2S/C1=C/C=C3SC(=C(S3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H23NO4S3/c1-4-5-8-13-22-14-9-6-7-10-15(14)27-16(22)11-12-17-28-18(20(23)25-2)19(29-17)21(24)26-3/h6-7,9-12H,4-5,8,13H2,1-3H3/b16-11+