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

Systemtic Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C24H25N3O7S2 MolecularWeight: 531.6012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C24H25N3O7S2/c1-32-20-10-7-17(13-21(20)33-2)19-15-35-24(25-19)26-22(28)14-34-23(29)16-5-8-18(9-6-16)36(30,31)27-11-3-4-12-27/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,25,26,28)