dimethyl 2-[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H22N4O5S/c1-5-9-23-15(6-2)21-22-19(23)29-11-16(24)20-14-10-12(17(25)27-3)7-8-13(14)18(26)28-4/h5,7-8,10H,1,6,9,11H2,2-4H3,(H,20,24)