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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2CC=C)C3CC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2CC=C)C3CC3)C

InChI

InChI=1S/C21H28N4O3S2/c1-6-11-25-17(14-9-10-14)23-24-21(25)30-13(5)18(26)22-19-16(20(27)28-8-3)15(7-2)12(4)29-19/h6,13-14H,1,7-11H2,2-5H3,(H,22,26)