methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanoate

Systemtic Name: methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanoate Openeye Name: methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate CAS Name: 2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetic acid methyl ester IUPAC Name: methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate Traditional Name: 2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetic acid methyl ester Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=NC2=C1NC3=CC=CC=C32

Isomeric SMILES

COC(=O)CSC1=NC=NC2=C1NC3=CC=CC=C32

InChI

InChI=1S/C13H11N3O2S/c1-18-10(17)6-19-13-12-11(14-7-15-13)8-4-2-3-5-9(8)16-12/h2-5,7,16H,6H2,1H3