(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H18N2O3S/c23-19(22-9-1-2-10-22)15-5-3-14(4-6-15)12-25-20(24)16-7-8-17-18(11-16)26-13-21-17/h3-8,11,13H,1-2,9-10,12H2