methyl 4-methyl-3-[2-(1H-perimidin-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(1H-perimidin-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(1H-perimidin-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(1H-perimidin-2-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(1H-perimidin-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(1H-perimidin-2-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C22H19N3O3S/c1-13-9-10-15(21(27)28-2)11-18(13)23-19(26)12-29-22-24-16-7-3-5-14-6-4-8-17(25-22)20(14)16/h3-11H,12H2,1-2H3,(H,23,26)(H,24,25)