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

Systemtic Name: methyl 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl 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=C2SC(C)C(=O)OC

Isomeric SMILES

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

InChI

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