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

Systemtic Name: ethyl 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate Traditional Name: 2-[(4-keto-3-p-phenetyl-5H-pyrimid[5,4-b]indol-2-yl)thio]propionic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C)C(=O)OCC

InChI

InChI=1S/C23H23N3O4S/c1-4-29-16-12-10-15(11-13-16)26-21(27)20-19(17-8-6-7-9-18(17)24-20)25-23(26)31-14(3)22(28)30-5-2/h6-14,24H,4-5H2,1-3H3