1,3-benzothiazol-2-ylmethyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1,3-benzodioxole-5-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H11NO4S MolecularWeight: 313.32784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H11NO4S/c18-16(10-5-6-12-13(7-10)21-9-20-12)19-8-15-17-11-3-1-2-4-14(11)22-15/h1-7H,8-9H2