ethyl 2-[[2-(2-butan-2-ylphenyl)imino-5,5-dimethyl-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[2-(2-butan-2-ylphenyl)imino-5,5-dimethyl-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoate Openeye Name: ethyl 2-[5,5-dimethyl-2-(2-sec-butylphenyl)imino-1,3-thiazinane-3-carbothioyl]sulfanylacetate CAS Name: 2-[[[2-(2-butan-2-ylphenyl)imino-5,5-dimethyl-1,3-thiazinan-3-yl]-sulfanylidenemethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-butan-2-ylphenyl)imino-5,5-dimethyl-1,3-thiazinane-3-carbothioyl]sulfanylacetate Traditional Name: 2-[[5,5-dimethyl-2-(2-sec-butylphenyl)imino-1,3-thiazinane-3-carbothioyl]thio]acetic acid ethyl ester Formula: C21H30N2O2S3 MolecularWeight: 438.6701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1N=C2N(CC(CS2)(C)C)C(=S)SCC(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=CC=C1N=C2N(CC(CS2)(C)C)C(=S)SCC(=O)OCC

InChI

InChI=1S/C21H30N2O2S3/c1-6-15(3)16-10-8-9-11-17(16)22-19-23(13-21(4,5)14-28-19)20(26)27-12-18(24)25-7-2/h8-11,15H,6-7,12-14H2,1-5H3