1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethoxy-phenyl]ethanone Formula: C18H17NO2S2 MolecularWeight: 343.46308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17NO2S2/c1-3-21-16-9-8-13(12(2)20)10-14(16)11-22-18-19-15-6-4-5-7-17(15)23-18/h4-10H,3,11H2,1-2H3