1-(3-nitrophenyl)ethyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid 1-(3-nitrophenyl)ethyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C19H17NO5S/c1-12(13-6-5-7-14(10-13)20(22)23)24-19(21)18-16(11-26-2)15-8-3-4-9-17(15)25-18/h3-10,12H,11H2,1-2H3