methyl 2-[[4-(cyclohexylcarbonylamino)phenyl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(cyclohexylcarbonylamino)phenyl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-(cyclohexanecarbonylamino)phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(cyclohexanecarbonylamino)phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-(cyclohexanecarbonylamino)benzyl]thio]acetic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=C(C=C1)NC(=O)C2CCCCC2

Isomeric SMILES

COC(=O)CSCC1=CC=C(C=C1)NC(=O)C2CCCCC2

InChI

InChI=1S/C17H23NO3S/c1-21-16(19)12-22-11-13-7-9-15(10-8-13)18-17(20)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)