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

Systemtic Name: methyl 2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OC

InChI

InChI=1S/C21H19N3O4S/c1-12-8-9-16(27-2)15(10-12)24-20(26)19-18(13-6-4-5-7-14(13)22-19)23-21(24)29-11-17(25)28-3/h4-10,22H,11H2,1-3H3