tert-butyl 4-[[[3-(3-chloranyl-1H-indol-6-yl)-2-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)amino]-3-oxidanylidene-propanoyl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[3-(3-chloranyl-1H-indol-6-yl)-2-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)amino]-3-oxidanylidene-propanoyl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[3-(3-chloro-1H-indol-6-yl)-2-[(2,4-dimethoxyphenyl)methyl-thiazol-2-yl-amino]-3-oxo-propanoyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[3-(3-chloro-1H-indol-6-yl)-2-[(2,4-dimethoxyphenyl)methyl-(2-thiazolyl)amino]-1,3-dioxopropyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[3-(3-chloro-1H-indol-6-yl)-2-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)amino]-3-oxopropanoyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[3-(3-chloro-1H-indol-6-yl)-2-[(2,4-dimethoxybenzyl)-thiazol-2-yl-amino]-3-keto-propanoyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C34H40ClN5O6S MolecularWeight: 682.2293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C(C(=O)C2=CC3=C(C=C2)C(=CN3)Cl)N(CC4=C(C=C(C=C4)OC)OC)C5=NC=CS5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C(C(=O)C2=CC3=C(C=C2)C(=CN3)Cl)N(CC4=C(C=C(C=C4)OC)OC)C5=NC=CS5

InChI

InChI=1S/C34H40ClN5O6S/c1-34(2,3)46-33(43)39-13-10-21(11-14-39)18-38-31(42)29(30(41)22-7-9-25-26(35)19-37-27(25)16-22)40(32-36-12-15-47-32)20-23-6-8-24(44-4)17-28(23)45-5/h6-9,12,15-17,19,21,29,37H,10-11,13-14,18,20H2,1-5H3,(H,38,42)