1,3-benzothiazol-2-ylmethyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N2O2S/c1-11-9-14(12(2)20(11)13-7-8-13)18(21)22-10-17-19-15-5-3-4-6-16(15)23-17/h3-6,9,13H,7-8,10H2,1-2H3