octadecyl 4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]benzoate

Systemtic Name: octadecyl 4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]benzoate Openeye Name: octadecyl 4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]benzoate CAS Name: 4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]benzoic acid octadecyl ester IUPAC Name: octadecyl 4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]benzoate Traditional Name: 4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]benzoic acid stearyl ester Formula: C33H47NO2S2 MolecularWeight: 553.86178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C33H47NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-36-32(35)29-24-22-28(23-25-29)27-34-30-20-17-18-21-31(30)38-33(34)37/h17-18,20-25H,2-16,19,26-27H2,1H3