ethyl 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O4S2/c1-2-26-20(23)14-9-11-15(12-10-14)28(24,25)22-13-5-7-17(22)19-21-16-6-3-4-8-18(16)27-19/h3-4,6,8-12,17H,2,5,7,13H2,1H3/t17-/m1/s1