5-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-thiophenecarboxylate IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-thenoate Formula: C13H8NO2S3- MolecularWeight: 306.40312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C13H9NO2S3/c15-12(16)11-6-5-8(18-11)7-17-13-14-9-3-1-2-4-10(9)19-13/h1-6H,7H2,(H,15,16)/p-1