methyl 3-[2-[[5-(1-benzamido-2-methyl-propyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[2-[[5-(1-benzamido-2-methyl-propyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-[[4-allyl-5-(1-benzamido-2-methyl-propyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-[[5-(1-benzamido-2-methylpropyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[5-(1-benzamido-2-methylpropyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-[[4-allyl-5-(1-benzamido-2-methyl-propyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C26H28ClN5O4S MolecularWeight: 542.04962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H28ClN5O4S/c1-5-13-32-23(22(16(2)3)29-24(34)17-9-7-6-8-10-17)30-31-26(32)37-15-21(33)28-20-14-18(25(35)36-4)11-12-19(20)27/h5-12,14,16,22H,1,13,15H2,2-4H3,(H,28,33)(H,29,34)