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

Systemtic Name: ethyl 2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-3-27-20(26)13(2)28-21-23-17-15-11-7-8-12-16(15)22-18(17)19(25)24(21)14-9-5-4-6-10-14/h4-13,22H,3H2,1-2H3