[2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[3-(2-methylthiazol-4-yl)anilino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[3-(2-methyl-4-thiazolyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-[3-(2-methylthiazol-4-yl)anilino]ethyl] ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H23N3O5S2/c1-16-24-21(15-32-16)17-6-4-8-19(12-17)25-22(27)14-31-23(28)18-7-5-9-20(13-18)33(29,30)26-10-2-3-11-26/h4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,25,27)