1,3-benzothiazol-2-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15NO2S2 MolecularWeight: 329.4365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H15NO2S2/c19-17(12-10-21-14-7-3-1-5-11(12)14)20-9-16-18-13-6-2-4-8-15(13)22-16/h2,4,6,8,10H,1,3,5,7,9H2