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

Systemtic Name: methyl 2-[[3-(4-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate CAS Name: 2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate Traditional Name: 2-[[4-keto-3-(4-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]propionic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)NC4=CC=CC=C42

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)NC4=CC=CC=C42

InChI

InChI=1S/C21H19N3O4S/c1-12(20(26)28-3)29-21-23-17-15-6-4-5-7-16(15)22-18(17)19(25)24(21)13-8-10-14(27-2)11-9-13/h4-12,22H,1-3H3