propan-2-yl 3-[2-[[5-[[(3,4-dimethoxyphenyl)carbonylamino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[[5-[[(3,4-dimethoxyphenyl)carbonylamino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[4-allyl-5-[[(3,4-dimethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-allyl-5-[(veratroylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C27H31N5O6S MolecularWeight: 553.62994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O6S/c1-6-12-32-23(15-28-25(34)18-10-11-21(36-4)22(14-18)37-5)30-31-27(32)39-16-24(33)29-20-9-7-8-19(13-20)26(35)38-17(2)3/h6-11,13-14,17H,1,12,15-16H2,2-5H3,(H,28,34)(H,29,33)