methyl 4-(11-butylsulfanylundecanoylamino)benzoate

Systemtic Name: methyl 4-(11-butylsulfanylundecanoylamino)benzoate Openeye Name: methyl 4-(11-butylsulfanylundecanoylamino)benzoate CAS Name: 4-[[11-(butylthio)-1-oxoundecyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(11-butylsulfanylundecanoylamino)benzoate Traditional Name: 4-[11-(butylthio)undecanoylamino]benzoic acid methyl ester Formula: C23H37NO3S MolecularWeight: 407.60978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCSCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C23H37NO3S/c1-3-4-18-28-19-12-10-8-6-5-7-9-11-13-22(25)24-21-16-14-20(15-17-21)23(26)27-2/h14-17H,3-13,18-19H2,1-2H3,(H,24,25)