dodecyl 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylate

Systemtic Name: dodecyl 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylate Openeye Name: dodecyl 2-thioxo-3H-1,3-benzothiazole-6-carboxylate CAS Name: 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylic acid dodecyl ester IUPAC Name: dodecyl 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylate Traditional Name: 2-thioxo-3H-1,3-benzothiazole-6-carboxylic acid lauryl ester Formula: C20H29NO2S2 MolecularWeight: 379.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)NC(=S)S2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)NC(=S)S2

InChI

InChI=1S/C20H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17-18(15-16)25-20(24)21-17/h12-13,15H,2-11,14H2,1H3,(H,21,24)