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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OC

InChI

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