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

Systemtic Name: methyl 3-[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)N3CCOCC3

InChI

InChI=1S/C19H25N5O4S/c1-4-24-18(23-7-9-28-10-8-23)21-22-19(24)29-12-16(25)20-15-11-14(17(26)27-3)6-5-13(15)2/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,25)