methyl 2-[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3)C

InChI

InChI=1S/C21H28N4O3S2/c1-5-11-25-18(14-9-7-8-10-14)23-24-21(25)29-12-16(26)22-19-17(20(27)28-4)15(6-2)13(3)30-19/h5,14H,1,6-12H2,2-4H3,(H,22,26)