ethyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-4-(dimethylaminomethyl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4S/c1-4-26-21(25)20-18(12-28-14-7-5-13(22)6-8-14)27-17-10-9-16(24)15(19(17)20)11-23(2)3/h5-10,24H,4,11-12H2,1-3H3