(3-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-furancarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)furan-2-carboxylic acid (3-cyanobenzyl) ester Formula: C20H12N2O3S MolecularWeight: 360.38588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C(=O)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H12N2O3S/c21-11-13-4-3-5-14(10-13)12-24-20(23)17-9-8-16(25-17)19-22-15-6-1-2-7-18(15)26-19/h1-10H,12H2