(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c25-21(12-11-20-23-18-5-1-2-6-19(18)28-20)27-15-16-7-9-17(10-8-16)22(26)24-13-3-4-14-24/h1-2,5-10H,3-4,11-15H2