tert-butyl 2-[[2-(4-ethylphenyl)imino-5,5-dimethyl-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[2-(4-ethylphenyl)imino-5,5-dimethyl-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoate Openeye Name: tert-butyl 2-[2-(4-ethylphenyl)imino-5,5-dimethyl-1,3-thiazinane-3-carbothioyl]sulfanylacetate CAS Name: 2-[[[2-(4-ethylphenyl)imino-5,5-dimethyl-1,3-thiazinan-3-yl]-sulfanylidenemethyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(4-ethylphenyl)imino-5,5-dimethyl-1,3-thiazinane-3-carbothioyl]sulfanylacetate Traditional Name: 2-[[2-(4-ethylphenyl)imino-5,5-dimethyl-1,3-thiazinane-3-carbothioyl]thio]acetic acid tert-butyl ester Formula: C21H30N2O2S3 MolecularWeight: 438.6701

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2N(CC(CS2)(C)C)C(=S)SCC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(CC(CS2)(C)C)C(=S)SCC(=O)OC(C)(C)C

InChI

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