ethyl 3-[[bis(2-ethylhexyl)amino]methyl]-2-sulfanylidene-1,3-benzothiazole-5-carboxylate

Systemtic Name: ethyl 3-[[bis(2-ethylhexyl)amino]methyl]-2-sulfanylidene-1,3-benzothiazole-5-carboxylate Openeye Name: ethyl 3-[[bis(2-ethylhexyl)amino]methyl]-2-thioxo-1,3-benzothiazole-5-carboxylate CAS Name: 3-[[bis(2-ethylhexyl)amino]methyl]-2-sulfanylidene-1,3-benzothiazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[bis(2-ethylhexyl)amino]methyl]-2-sulfanylidene-1,3-benzothiazole-5-carboxylate Traditional Name: 3-[[bis(2-ethylhexyl)amino]methyl]-2-thioxo-1,3-benzothiazole-5-carboxylic acid ethyl ester Formula: C27H44N2O2S2 MolecularWeight: 492.78046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(CC(CC)CCCC)CN1C2=C(C=CC(=C2)C(=O)OCC)SC1=S

Isomeric SMILES

CCCCC(CC)CN(CC(CC)CCCC)CN1C2=C(C=CC(=C2)C(=O)OCC)SC1=S

InChI

InChI=1S/C27H44N2O2S2/c1-6-11-13-21(8-3)18-28(19-22(9-4)14-12-7-2)20-29-24-17-23(26(30)31-10-5)15-16-25(24)33-27(29)32/h15-17,21-22H,6-14,18-20H2,1-5H3