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

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

Systemtic Name:4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid
Openeye Name:4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid
CAS Name:4-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid
IUPAC Name:4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid
Traditional Name:4-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid
Formula: C17H15NO3S2
MolecularWeight: 345.4359
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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)


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