dodecyl 4-chloranyl-3-[ethanoyl-(2-ethylsulfanyl-2-methyl-propanoyl)amino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[ethanoyl-(2-ethylsulfanyl-2-methyl-propanoyl)amino]benzoate Openeye Name: dodecyl 3-[acetyl-(2-ethylsulfanyl-2-methyl-propanoyl)amino]-4-chloro-benzoate CAS Name: 3-[acetyl-[2-(ethylthio)-2-methyl-1-oxopropyl]amino]-4-chlorobenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[acetyl-(2-ethylsulfanyl-2-methylpropanoyl)amino]-4-chlorobenzoate Traditional Name: 3-[acetyl-[2-(ethylthio)-2-methyl-propanoyl]amino]-4-chloro-benzoic acid lauryl ester Formula: C27H42ClNO4S MolecularWeight: 512.14468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N(C(=O)C)C(=O)C(C)(C)SCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N(C(=O)C)C(=O)C(C)(C)SCC

InChI

InChI=1S/C27H42ClNO4S/c1-6-8-9-10-11-12-13-14-15-16-19-33-25(31)22-17-18-23(28)24(20-22)29(21(3)30)26(32)27(4,5)34-7-2/h17-18,20H,6-16,19H2,1-5H3