1,3-benzothiazol-2-ylmethyl 1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15ClN2O4S3 MolecularWeight: 442.96

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H15ClN2O4S3/c18-14-7-8-16(26-14)27(22,23)20-9-3-5-12(20)17(21)24-10-15-19-11-4-1-2-6-13(11)25-15/h1-2,4,6-8,12H,3,5,9-10H2