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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O3S/c1-13-10-16(14(2)22(13)11-15-6-5-9-24-15)20(23)25-12-19-21-17-7-3-4-8-18(17)26-19/h3-10H,11-12H2,1-2H3