[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-ethoxyphenyl)thiazol-4-yl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-ethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-p-phenetylthiazol-4-yl)methyl ester Formula: C23H23ClN2O5S2 MolecularWeight: 507.02212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H23ClN2O5S2/c1-2-30-19-8-5-16(6-9-19)22-25-18(15-32-22)14-31-23(27)17-7-10-20(24)21(13-17)33(28,29)26-11-3-4-12-26/h5-10,13,15H,2-4,11-12,14H2,1H3