[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H20ClNO4S MolecularWeight: 429.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClNO4S/c1-13(21(25)24-15-8-9-15)27-22(26)20-18(17-4-2-3-5-19(17)28-20)12-29-16-10-6-14(23)7-11-16/h2-7,10-11,13,15H,8-9,12H2,1H3,(H,24,25)