tert-butyl 4-piperazin-1-yl-4-(6-propan-2-yloxy-1,3-benzothiazol-2-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-piperazin-1-yl-4-(6-propan-2-yloxy-1,3-benzothiazol-2-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(6-isopropoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-4-(6-propan-2-yloxy-1,3-benzothiazol-2-yl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-piperazin-1-yl-4-(6-propan-2-yloxy-1,3-benzothiazol-2-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(6-isopropoxy-1,3-benzothiazol-2-yl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H39N5O4S2 MolecularWeight: 561.75966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)N=C(S2)C3(CC(N(C3)C(=O)OC(C)(C)C)C(=O)N4CCSC4)N5CCNCC5

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)N=C(S2)C3(CC(N(C3)C(=O)OC(C)(C)C)C(=O)N4CCSC4)N5CCNCC5

InChI

InChI=1S/C27H39N5O4S2/c1-18(2)35-19-6-7-20-22(14-19)38-24(29-20)27(31-10-8-28-9-11-31)15-21(23(33)30-12-13-37-17-30)32(16-27)25(34)36-26(3,4)5/h6-7,14,18,21,28H,8-13,15-17H2,1-5H3