tert-butyl 4-(5-methoxy-1,2-benzoxazol-3-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-methoxy-1,2-benzoxazol-3-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(5-methoxy-1,2-benzoxazol-3-yl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(5-methoxy-1,2-benzoxazol-3-yl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-methoxy-1,2-benzoxazol-3-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(5-methoxyindoxazen-3-yl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H35N5O5S MolecularWeight: 517.6409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NOC4=C3C=C(C=C4)OC)N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NOC4=C3C=C(C=C4)OC)N5CCNCC5

InChI

InChI=1S/C25H35N5O5S/c1-24(2,3)34-23(32)30-15-25(29-9-7-26-8-10-29,14-19(30)22(31)28-11-12-36-16-28)21-18-13-17(33-4)5-6-20(18)35-27-21/h5-6,13,19,26H,7-12,14-16H2,1-4H3