propyl 2-chloranyl-5-[2-[[5-[[(3,4-dimethoxyphenyl)carbonylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propyl 2-chloranyl-5-[2-[[5-[[(3,4-dimethoxyphenyl)carbonylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: propyl 2-chloro-5-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[[5-[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 2-chloro-5-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[[4-ethyl-5-[(veratroylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid propyl ester Formula: C26H30ClN5O6S MolecularWeight: 576.0643

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC)CNC(=O)C3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC)CNC(=O)C3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C26H30ClN5O6S/c1-5-11-38-25(35)18-13-17(8-9-19(18)27)29-23(33)15-39-26-31-30-22(32(26)6-2)14-28-24(34)16-7-10-20(36-3)21(12-16)37-4/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,28,34)(H,29,33)