dimethyl 5-[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3)C(=O)OC

InChI

InChI=1S/C22H26N4O5S/c1-4-9-26-19(14-7-5-6-8-14)24-25-22(26)32-13-18(27)23-17-11-15(20(28)30-2)10-16(12-17)21(29)31-3/h4,10-12,14H,1,5-9,13H2,2-3H3,(H,23,27)