ethyl 2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetic acid ethyl ester Formula: C20H16N4O5S MolecularWeight: 424.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C42

InChI

InChI=1S/C20H16N4O5S/c1-2-29-16(25)11-30-20-22-17-14-5-3-4-6-15(14)21-18(17)19(26)23(20)12-7-9-13(10-8-12)24(27)28/h3-10,21H,2,11H2,1H3