ditert-butyl 2-[(benzenecarbonothioylamino)-cyclohexyl-methyl]propanedioate

Systemtic Name: ditert-butyl 2-[(benzenecarbonothioylamino)-cyclohexyl-methyl]propanedioate Openeye Name: ditert-butyl 2-[(benzenecarbonothioylamino)-cyclohexyl-methyl]propanedioate CAS Name: 2-[(benzenecarbonothioylamino)-cyclohexylmethyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(benzenecarbonothioylamino)-cyclohexylmethyl]propanedioate Traditional Name: 2-[(benzenecarbonothioylamino)-cyclohexyl-methyl]malonic acid ditert-butyl ester Formula: C25H37NO4S MolecularWeight: 447.63058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C1CCCCC1)NC(=S)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C(C1CCCCC1)NC(=S)C2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H37NO4S/c1-24(2,3)29-22(27)19(23(28)30-25(4,5)6)20(17-13-9-7-10-14-17)26-21(31)18-15-11-8-12-16-18/h8,11-12,15-17,19-20H,7,9-10,13-14H2,1-6H3,(H,26,31)