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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)NC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)NC4=CC=CC=C42

InChI

InChI=1S/C20H17N3O3S/c1-2-26-16(24)12-27-20-22-17-14-10-6-7-11-15(14)21-18(17)19(25)23(20)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3