methyl 3-[[2-(2-butan-2-ylphenyl)imino-5,5-diethyl-1,3-thiazinan-3-yl]carbothioylsulfanyl]propanoate

Systemtic Name: methyl 3-[[2-(2-butan-2-ylphenyl)imino-5,5-diethyl-1,3-thiazinan-3-yl]carbothioylsulfanyl]propanoate Openeye Name: methyl 3-[5,5-diethyl-2-(2-sec-butylphenyl)imino-1,3-thiazinane-3-carbothioyl]sulfanylpropanoate CAS Name: 3-[[[2-(2-butan-2-ylphenyl)imino-5,5-diethyl-1,3-thiazinan-3-yl]-sulfanylidenemethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-butan-2-ylphenyl)imino-5,5-diethyl-1,3-thiazinane-3-carbothioyl]sulfanylpropanoate Traditional Name: 3-[[5,5-diethyl-2-(2-sec-butylphenyl)imino-1,3-thiazinane-3-carbothioyl]thio]propionic acid methyl ester Formula: C23H34N2O2S3 MolecularWeight: 466.72326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1N=C2N(CC(CS2)(CC)CC)C(=S)SCCC(=O)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1N=C2N(CC(CS2)(CC)CC)C(=S)SCCC(=O)OC

InChI

InChI=1S/C23H34N2O2S3/c1-6-17(4)18-11-9-10-12-19(18)24-21-25(15-23(7-2,8-3)16-30-21)22(28)29-14-13-20(26)27-5/h9-12,17H,6-8,13-16H2,1-5H3