methyl 3-[4-chloranyl-5-dodecylsulfanyl-1,3-bis(oxidanylidene)-1,2-thiazol-2-yl]propanoate

Systemtic Name: methyl 3-[4-chloranyl-5-dodecylsulfanyl-1,3-bis(oxidanylidene)-1,2-thiazol-2-yl]propanoate Openeye Name: methyl 3-(4-chloro-5-dodecylsulfanyl-1,3-dioxo-isothiazol-2-yl)propanoate CAS Name: 3-[4-chloro-5-(dodecylthio)-1,3-dioxo-2-isothiazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chloro-5-dodecylsulfanyl-1,3-dioxo-1,2-thiazol-2-yl)propanoate Traditional Name: 3-[4-chloro-1,3-diketo-5-(laurylthio)isothiazol-2-yl]propionic acid methyl ester Formula: C19H32ClNO4S2 MolecularWeight: 438.04468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C(=O)N(S1=O)CCC(=O)OC)Cl

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C(=O)N(S1=O)CCC(=O)OC)Cl

InChI

InChI=1S/C19H32ClNO4S2/c1-3-4-5-6-7-8-9-10-11-12-15-26-19-17(20)18(23)21(27(19)24)14-13-16(22)25-2/h3-15H2,1-2H3