1,3-benzothiazol-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H20N2O2S/c1-14-8-10-17(11-9-14)24-15(2)12-18(16(24)3)22(25)26-13-21-23-19-6-4-5-7-20(19)27-21/h4-12H,13H2,1-3H3