tert-butyl 2-[[5-[5-(4-ethanoylpiperazin-1-yl)carbonyl-4-methoxy-2-methyl-phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[5-[5-(4-ethanoylpiperazin-1-yl)carbonyl-4-methoxy-2-methyl-phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methyl-phenyl]sulfanylthiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[5-[[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methyl-phenyl]thio]thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H37N5O6S2 MolecularWeight: 603.75328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4CCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4CCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C28H37N5O6S2/c1-17-14-21(38-6)19(25(36)32-12-10-31(11-13-32)18(2)34)15-22(17)40-23-16-29-26(41-23)30-24(35)20-8-7-9-33(20)27(37)39-28(3,4)5/h14-16,20H,7-13H2,1-6H3,(H,29,30,35)