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

Systemtic Name: [2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H25N3O5S2/c1-17-7-9-19(10-8-17)25-22(28)14-23-26-20(16-33-23)15-32-24(29)18-5-4-6-21(13-18)34(30,31)27-11-2-3-12-27/h4-10,13,16H,2-3,11-12,14-15H2,1H3,(H,25,28)