methyl (2S)-2-[(2-cyclohexyl-1,3-benzoxazol-6-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-cyclohexyl-1,3-benzoxazol-6-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-cyclohexyl-1,3-benzoxazole-6-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-cyclohexyl-1,3-benzoxazol-6-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-cyclohexyl-1,3-benzoxazole-6-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-cyclohexyl-1,3-benzoxazole-6-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)N=C(O2)C3CCCCC3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=C(C=C1)N=C(O2)C3CCCCC3

InChI

InChI=1S/C20H26N2O4S/c1-25-20(24)16(10-11-27-2)21-18(23)14-8-9-15-17(12-14)26-19(22-15)13-6-4-3-5-7-13/h8-9,12-13,16H,3-7,10-11H2,1-2H3,(H,21,23)/t16-/m0/s1