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

Systemtic Name: methyl 2-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OC

InChI

InChI=1S/C20H17N3O4S/c1-26-15-10-6-5-9-14(15)23-19(25)18-17(12-7-3-4-8-13(12)21-18)22-20(23)28-11-16(24)27-2/h3-10,21H,11H2,1-2H3