methyl 5-[[3-(2-methoxyethyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-(2-methoxyethyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C20H19N3O5S/c1-26-10-9-23-18(24)17-16(13-5-3-4-6-14(13)21-17)22-20(23)29-11-12-7-8-15(28-12)19(25)27-2/h3-8,21H,9-11H2,1-2H3