5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-2-methyl-3-furancarboxylate IUPAC Name: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-2-methyl-3-furoate Formula: C16H14NO4S2- MolecularWeight: 348.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=C(O3)C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=C(O3)C)C(=O)[O-]

InChI

InChI=1S/C16H15NO4S2/c1-3-20-10-4-5-13-14(7-10)23-16(17-13)22-8-11-6-12(15(18)19)9(2)21-11/h4-7H,3,8H2,1-2H3,(H,18,19)/p-1