ethyl 6-bromanyl-7-ethoxy-2-[(4-nitrophenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-7-ethoxy-2-[(4-nitrophenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-bromo-7-ethoxy-2-[(4-nitrobenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 6-bromo-7-ethoxy-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-7-ethoxy-2-[(4-nitrobenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-bromo-7-ethoxy-2-[(4-nitrobenzoyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H17BrN2O6S MolecularWeight: 493.32778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H17BrN2O6S/c1-3-28-16-14(21)10-9-13-15(20(25)29-4-2)19(30-17(13)16)22-18(24)11-5-7-12(8-6-11)23(26)27/h5-10H,3-4H2,1-2H3,(H,22,24)