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

Systemtic Name: methyl 2-[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-ethyl-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]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3)C(=O)OC

InChI

InChI=1S/C20H26N4O3S2/c1-4-10-24-17(13-8-6-7-9-13)22-23-20(24)28-12-16(25)21-18-15(19(26)27-3)11-14(5-2)29-18/h4,11,13H,1,5-10,12H2,2-3H3,(H,21,25)