[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C23H24N2O6S2 MolecularWeight: 488.57646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C23H24N2O6S2/c1-29-20-9-8-16(13-21(20)30-2)22-24-18(15-32-22)14-31-23(26)17-6-5-7-19(12-17)33(27,28)25-10-3-4-11-25/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3