(1-azanyl-1-oxidanylidene-propan-2-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-12(18(20)21)23-19(22)17-15(11-25-13-7-3-2-4-8-13)14-9-5-6-10-16(14)24-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H2,20,21)