cyclohexylmethyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: cyclohexylmethyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: cyclohexylmethyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid cyclohexylmethyl ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1CCCCC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC1CCCCC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H27NO3S/c1-24-13-12-17(20-18(21)16-10-6-3-7-11-16)19(22)23-14-15-8-4-2-5-9-15/h3,6-7,10-11,15,17H,2,4-5,8-9,12-14H2,1H3,(H,20,21)