methyl 4-[2-[[5-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[5-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[5-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[5-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-[[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H27N5O6S MolecularWeight: 525.57678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CNC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CNC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H27N5O6S/c1-30-21(14-26-22(31)12-6-16-5-11-19(34-2)20(13-16)35-3)28-29-25(30)37-15-23(32)27-18-9-7-17(8-10-18)24(33)36-4/h5-13H,14-15H2,1-4H3,(H,26,31)(H,27,32)/b12-6+