methyl (2S,8S)-4-ethoxycarbothioylsulfanyl-8-hexyl-oxocane-2-carboxylate

Systemtic Name: methyl (2S,8S)-4-ethoxycarbothioylsulfanyl-8-hexyl-oxocane-2-carboxylate Openeye Name: methyl (2S,8S)-4-ethoxycarbothioylsulfanyl-8-hexyl-oxocane-2-carboxylate CAS Name: (2S,8S)-4-[[ethoxy(sulfanylidene)methyl]thio]-8-hexyl-2-oxocanecarboxylic acid methyl ester IUPAC Name: methyl (2S,8S)-4-ethoxycarbothioylsulfanyl-8-hexyloxocane-2-carboxylate Traditional Name: (2S,8S)-4-(ethoxycarbothioylthio)-8-hexyl-oxocane-2-carboxylic acid methyl ester Formula: C18H32O4S2 MolecularWeight: 376.57428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCC(CC(O1)C(=O)OC)SC(=S)OCC

Isomeric SMILES

CCCCCC[C@H]1CCCC(C[C@H](O1)C(=O)OC)SC(=S)OCC

InChI

InChI=1S/C18H32O4S2/c1-4-6-7-8-10-14-11-9-12-15(24-18(23)21-5-2)13-16(22-14)17(19)20-3/h14-16H,4-13H2,1-3H3/t14-,15?,16-/m0/s1