1,3-benzothiazol-2-ylmethyl 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H17N3O4S2/c21-17(24-11-16-19-13-5-1-2-6-15(13)25-16)14-9-12(10-18-14)26(22,23)20-7-3-4-8-20/h1-2,5-6,9-10,18H,3-4,7-8,11H2