ethyl 4-[2-[[3-(4-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[3-(4-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-(4-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H24N4O5S MolecularWeight: 528.57896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)NC5=CC=CC=C53

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)NC5=CC=CC=C53

InChI

InChI=1S/C28H24N4O5S/c1-3-37-27(35)17-8-10-18(11-9-17)29-23(33)16-38-28-31-24-21-6-4-5-7-22(21)30-25(24)26(34)32(28)19-12-14-20(36-2)15-13-19/h4-15,30H,3,16H2,1-2H3,(H,29,33)