ethyl 4-[2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-4-11-25-19(17-10-12-29-14(17)3)23-24-21(25)30-13-18(26)22-16-8-6-15(7-9-16)20(27)28-5-2/h4,6-10,12H,1,5,11,13H2,2-3H3,(H,22,26)