methyl 2-[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)N3CCOCC3

InChI

InChI=1S/C18H23N5O4S/c1-3-23-17(22-8-10-27-11-9-22)20-21-18(23)28-12-15(24)19-14-7-5-4-6-13(14)16(25)26-2/h4-7H,3,8-12H2,1-2H3,(H,19,24)