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

Systemtic Name: ethyl 2-[[3-(4-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-oxo-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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