4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]benzoate Formula: C17H14NO3S2- MolecularWeight: 344.42796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H15NO3S2/c1-2-21-13-7-8-14-15(9-13)23-17(18-14)22-10-11-3-5-12(6-4-11)16(19)20/h3-9H,2,10H2,1H3,(H,19,20)/p-1