ethyl 2-[8-(2-methylbutan-2-yl)-2-sulfanylidene-1,3,4-triazaspiro[4.5]decan-3-yl]ethanoate

Systemtic Name: ethyl 2-[8-(2-methylbutan-2-yl)-2-sulfanylidene-1,3,4-triazaspiro[4.5]decan-3-yl]ethanoate Openeye Name: ethyl 2-[8-(1,1-dimethylpropyl)-2-thioxo-1,3,4-triazaspiro[4.5]decan-3-yl]acetate CAS Name: 2-[8-(2-methylbutan-2-yl)-2-sulfanylidene-1,3,4-triazaspiro[4.5]decan-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-(2-methylbutan-2-yl)-2-sulfanylidene-1,3,4-triazaspiro[4.5]decan-3-yl]acetate Traditional Name: 2-(8-tert-amyl-2-thioxo-1,3,4-triazaspiro[4.5]decan-3-yl)acetic acid ethyl ester Formula: C16H29N3O2S MolecularWeight: 327.48536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2(CC1)NC(=S)N(N2)CC(=O)OCC

Isomeric SMILES

CCC(C)(C)C1CCC2(CC1)NC(=S)N(N2)CC(=O)OCC

InChI

InChI=1S/C16H29N3O2S/c1-5-15(3,4)12-7-9-16(10-8-12)17-14(22)19(18-16)11-13(20)21-6-2/h12,18H,5-11H2,1-4H3,(H,17,22)