tert-butyl 2-[[5,5-dimethyl-2-(3-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[5,5-dimethyl-2-(3-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoate Openeye Name: tert-butyl 2-[2-(3-isopropylphenyl)imino-5,5-dimethyl-1,3-thiazinane-3-carbothioyl]sulfanylacetate CAS Name: 2-[[[5,5-dimethyl-2-(3-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]-sulfanylidenemethyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5,5-dimethyl-2-(3-propan-2-ylphenyl)imino-1,3-thiazinane-3-carbothioyl]sulfanylacetate Traditional Name: 2-[(2-m-cumenylimino-5,5-dimethyl-1,3-thiazinane-3-carbothioyl)thio]acetic acid tert-butyl ester Formula: C22H32N2O2S3 MolecularWeight: 452.69668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)N=C2N(CC(CS2)(C)C)C(=S)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)N=C2N(CC(CS2)(C)C)C(=S)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O2S3/c1-15(2)16-9-8-10-17(11-16)23-19-24(13-22(6,7)14-29-19)20(27)28-12-18(25)26-21(3,4)5/h8-11,15H,12-14H2,1-7H3