methyl 2-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]amino]-2-methyl-propanoate CAS Name: 2-[[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]amino]-2-methyl-propionic acid methyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

InChI

InChI=1S/C21H27NO4S/c1-21(2,20(24)25-3)22-19(23)18-16(13-27-14-9-5-4-6-10-14)15-11-7-8-12-17(15)26-18/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,22,23)