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

Systemtic Name: ethyl 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Traditional Name: 2-[(4-keto-3-p-phenetyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OCC

InChI

InChI=1S/C22H21N3O4S/c1-3-28-15-11-9-14(10-12-15)25-21(27)20-19(16-7-5-6-8-17(16)23-20)24-22(25)30-13-18(26)29-4-2/h5-12,23H,3-4,13H2,1-2H3