dodecyl 3-methyl-2-[methyl-(4-oxidanylidene-3-phenylsulfanyl-oxetan-2-yl)carbamoyl]butanoate

Systemtic Name: dodecyl 3-methyl-2-[methyl-(4-oxidanylidene-3-phenylsulfanyl-oxetan-2-yl)carbamoyl]butanoate Openeye Name: dodecyl 3-methyl-2-[methyl-(4-oxo-3-phenylsulfanyl-oxetan-2-yl)carbamoyl]butanoate CAS Name: 3-methyl-2-[[methyl-[4-oxo-3-(phenylthio)-2-oxetanyl]amino]-oxomethyl]butanoic acid dodecyl ester IUPAC Name: dodecyl 3-methyl-2-[methyl-(4-oxo-3-phenylsulfanyloxetan-2-yl)carbamoyl]butanoate Traditional Name: 2-[[4-keto-3-(phenylthio)oxetan-2-yl]-methyl-carbamoyl]-3-methyl-butyric acid lauryl ester Formula: C28H43NO5S MolecularWeight: 505.70972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C(C)C)C(=O)N(C)C1C(C(=O)O1)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C(C)C)C(=O)N(C)C1C(C(=O)O1)SC2=CC=CC=C2

InChI

InChI=1S/C28H43NO5S/c1-5-6-7-8-9-10-11-12-13-17-20-33-27(31)23(21(2)3)25(30)29(4)26-24(28(32)34-26)35-22-18-15-14-16-19-22/h14-16,18-19,21,23-24,26H,5-13,17,20H2,1-4H3