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

Systemtic Name: dimethyl 5-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C23H28N4O5S/c1-4-10-27-20(15-8-6-5-7-9-15)25-26-23(27)33-14-19(28)24-18-12-16(21(29)31-2)11-17(13-18)22(30)32-3/h4,11-13,15H,1,5-10,14H2,2-3H3,(H,24,28)