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

Systemtic Name: methyl 5-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-3-p-phenetyl-5H-pyrimid[5,4-b]indol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(O5)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(O5)C(=O)OC

InChI

InChI=1S/C25H21N3O5S/c1-3-32-16-10-8-15(9-11-16)28-23(29)22-21(18-6-4-5-7-19(18)26-22)27-25(28)34-14-17-12-13-20(33-17)24(30)31-2/h4-13,26H,3,14H2,1-2H3