phenyl 2-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanylmethylsulfanylmethyl]but-3-enoate

Systemtic Name: phenyl 2-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanylmethylsulfanylmethyl]but-3-enoate Openeye Name: phenyl 2-[[3-(dimethylamino)-3-oxo-propyl]sulfanylmethylsulfanylmethyl]but-3-enoate CAS Name: 2-[[[[3-(dimethylamino)-3-oxopropyl]thio]methylthio]methyl]-3-butenoic acid phenyl ester IUPAC Name: phenyl 2-[[3-(dimethylamino)-3-oxopropyl]sulfanylmethylsulfanylmethyl]but-3-enoate Traditional Name: 2-[[[[3-(dimethylamino)-3-keto-propyl]thio]methylthio]methyl]but-3-enoic acid phenyl ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCSCSCC(C=C)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CN(C)C(=O)CCSCSCC(C=C)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C17H23NO3S2/c1-4-14(17(20)21-15-8-6-5-7-9-15)12-23-13-22-11-10-16(19)18(2)3/h4-9,14H,1,10-13H2,2-3H3