1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(7-nitroquinazolin-4-yl)oxy-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(7-nitroquinazolin-4-yl)oxy-ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(7-nitroquinazolin-4-yl)oxy-ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[(7-nitro-4-quinazolinyl)oxy]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(7-nitroquinazolin-4-yl)oxyethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(7-nitroquinazolin-4-yl)oxy-ethanone Formula: C21H18N4O4S MolecularWeight: 422.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-13-8-18(14(2)24(13)10-16-4-3-7-30-16)20(26)11-29-21-17-6-5-15(25(27)28)9-19(17)22-12-23-21/h3-9,12H,10-11H2,1-2H3