tert-butyl 2'-methylsulfanyl-2-piperidin-1-yl-spiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate

Systemtic Name: tert-butyl 2'-methylsulfanyl-2-piperidin-1-yl-spiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate Openeye Name: tert-butyl 2-methylsulfanyl-2'-(1-piperidyl)spiro[4H-thiazole-5,3'-indoline]-1'-carboxylate CAS Name: 2'-(methylthio)-2-(1-piperidinyl)-1-spiro[2H-indole-3,5'-4H-thiazole]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2'-methylsulfanyl-2-piperidin-1-ylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate Traditional Name: 2-(methylthio)-2'-piperidino-spiro[2-thiazoline-5,3'-indoline]-1'-carboxylic acid tert-butyl ester Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C2(CN=C(S2)SC)C3=CC=CC=C31)N4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(C2(CN=C(S2)SC)C3=CC=CC=C31)N4CCCCC4

InChI

InChI=1S/C21H29N3O2S2/c1-20(2,3)26-19(25)24-16-11-7-6-10-15(16)21(14-22-18(27-4)28-21)17(24)23-12-8-5-9-13-23/h6-7,10-11,17H,5,8-9,12-14H2,1-4H3