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

Systemtic Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]ethyl] ester Formula: C23H23N3O6S2 MolecularWeight: 501.57522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O6S2/c1-31-18-9-7-16(8-10-18)20-15-33-23(24-20)25-21(27)14-32-22(28)17-5-4-6-19(13-17)34(29,30)26-11-2-3-12-26/h4-10,13,15H,2-3,11-12,14H2,1H3,(H,24,25,27)