methyl 4,5-dimethoxy-2-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)OC

InChI

InChI=1S/C21H22N4O5S2/c1-5-8-25-19(17-7-6-9-31-17)23-24-21(25)32-12-18(26)22-14-11-16(29-3)15(28-2)10-13(14)20(27)30-4/h5-7,9-11H,1,8,12H2,2-4H3,(H,22,26)