methyl 4-[2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(5H-pyrimido[5,4-b]indol-4-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

InChI

InChI=1S/C20H16N4O3S/c1-27-20(26)12-6-8-13(9-7-12)23-16(25)10-28-19-18-17(21-11-22-19)14-4-2-3-5-15(14)24-18/h2-9,11,24H,10H2,1H3,(H,23,25)