1,3-benzothiazol-2-ylmethyl 5-(methylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-(methylsulfanylmethyl)furan-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-(methylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(methylthio)methyl]-2-furancarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-(methylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(methylthio)methyl]furan-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H13NO3S2 MolecularWeight: 319.39862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H13NO3S2/c1-20-9-10-6-7-12(19-10)15(17)18-8-14-16-11-4-2-3-5-13(11)21-14/h2-7H,8-9H2,1H3