diethyl 5-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(3,4-difluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3,4-difluorophenyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(3,4-difluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(3,4-difluorophenyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H17F2NO4S2 MolecularWeight: 401.447986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=CC(=C(C=C2)F)F)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=CC(=C(C=C2)F)F)C(=O)OCC)N

InChI

InChI=1S/C17H17F2NO4S2/c1-3-23-16(21)13-10(14(26-15(13)20)17(22)24-4-2)8-25-9-5-6-11(18)12(19)7-9/h5-7H,3-4,8,20H2,1-2H3