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

Systemtic Name: tert-butyl 4-(5-cyano-1,2-benzoxazol-3-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(5-cyano-1,2-benzoxazol-3-yl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(5-cyano-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-cyano-1,2-benzoxazol-3-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(5-cyanoindoxazen-3-yl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H32N6O4S MolecularWeight: 512.62438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O4S/c1-24(2,3)34-23(33)31-15-25(30-8-6-27-7-9-30,13-19(31)22(32)29-10-11-36-16-29)21-18-12-17(14-26)4-5-20(18)35-28-21/h4-5,12,19,27H,6-11,13,15-16H2,1-3H3