1,3-benzoxazol-2-ylmethyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

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