1,3-benzothiazol-2-ylmethyl 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H15NO2S2 MolecularWeight: 317.4258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H15NO2S2/c1-3-12-10(2)8-14(20-12)16(18)19-9-15-17-11-6-4-5-7-13(11)21-15/h4-8H,3,9H2,1-2H3