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

Systemtic Name: methyl 2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate Openeye Name: methyl 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate CAS Name: 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate Traditional Name: 2-[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]propionic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3)NC4=CC=CC=C42

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3)NC4=CC=CC=C42

InChI

InChI=1S/C20H17N3O3S/c1-12(19(25)26-2)27-20-22-16-14-10-6-7-11-15(14)21-17(16)18(24)23(20)13-8-4-3-5-9-13/h3-12,21H,1-2H3