ethyl 2-(2-methylsulfanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethanoate

Systemtic Name: ethyl 2-(2-methylsulfanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethanoate Openeye Name: ethyl 2-(2-methylsulfanyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetate CAS Name: 2-[2-(methylthio)-4-oxo-5H-pyrimido[5,4-b]indol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methylsulfanyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetate Traditional Name: 2-[4-keto-2-(methylthio)-5H-pyrimid[5,4-b]indol-3-yl]acetic acid ethyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC

InChI

InChI=1S/C15H15N3O3S/c1-3-21-11(19)8-18-14(20)13-12(17-15(18)22-2)9-6-4-5-7-10(9)16-13/h4-7,16H,3,8H2,1-2H3